REMARK FILENAME="/farm/data/gliu/projects/SgR46/cns/calc24_hb/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -507.192, 67.532, 102.686, 49.7096, 540.609, -543.801, -728.839, 4.38842, 0.522134 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 5.987068E-03,0.445564,1.15921,42.1363,5.331268E-03,0.24064 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 39, 11 REMARK =============================================================== REMARK DATE:22-Jan-2010 14:19:45 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 8.705 -6.449 -5.937 1.00 23.22 ATOM 2 CB MET 1 9.826 -6.281 -4.115 1.00 21.13 ATOM 3 HB1 MET 1 10.246 -7.277 -4.141 1.00 37.11 ATOM 4 HB2 MET 1 9.625 -6.017 -3.087 1.00 53.12 ATOM 5 CG MET 1 10.872 -5.314 -4.650 1.00 61.44 ATOM 6 HG1 MET 1 10.461 -4.315 -4.644 1.00 37.11 ATOM 7 HG2 MET 1 11.126 -5.595 -5.662 1.00 1.32 ATOM 8 SD MET 1 12.374 -5.327 -3.652 1.00 54.13 ATOM 9 CE MET 1 13.439 -4.260 -4.614 1.00 30.01 ATOM 10 HE1 MET 1 13.567 -4.675 -5.602 1.00 40.02 ATOM 11 HE2 MET 1 14.402 -4.180 -4.129 1.00 63.03 ATOM 12 HE3 MET 1 12.993 -3.280 -4.691 1.00 3.41 ATOM 13 C MET 1 7.620 -7.435 -4.374 1.00 45.51 ATOM 14 O MET 1 7.255 -8.336 -5.133 1.00 2.34 ATOM 15 N MET 1 7.814 -4.967 -4.756 1.00 52.21 ATOM 16 HT1 MET 1 8.397 -4.215 -5.175 1.00 37.11 ATOM 17 HT2 MET 1 7.650 -4.743 -3.753 1.00 37.11 ATOM 18 HT3 MET 1 6.896 -4.988 -5.246 1.00 37.11 ATOM 19 CA MET 1 8.500 -6.285 -4.889 1.00 42.31 ATOM 20 N ALA 2 7.279 -7.393 -3.083 1.00 3.13 ATOM 21 HN ALA 2 7.564 -6.627 -2.542 1.00 37.11 ATOM 22 CA ALA 2 6.494 -8.457 -2.439 1.00 44.33 ATOM 23 HA ALA 2 7.097 -9.355 -2.441 1.00 12.20 ATOM 24 CB ALA 2 6.212 -8.090 -0.987 1.00 2.55 ATOM 25 HB1 ALA 2 5.573 -7.219 -0.952 1.00 71.12 ATOM 26 HB2 ALA 2 7.142 -7.872 -0.481 1.00 63.10 ATOM 27 HB3 ALA 2 5.721 -8.916 -0.494 1.00 53.54 ATOM 28 C ALA 2 5.176 -8.745 -3.175 1.00 22.31 ATOM 29 O ALA 2 4.637 -7.883 -3.877 1.00 31.44 ATOM 30 N ALA 3 4.659 -9.961 -2.999 1.00 25.22 ATOM 31 HN ALA 3 5.116 -10.589 -2.399 1.00 37.11 ATOM 32 CA ALA 3 3.429 -10.383 -3.674 1.00 23.33 ATOM 33 HA ALA 3 3.518 -10.108 -4.717 1.00 61.25 ATOM 34 CB ALA 3 3.281 -11.899 -3.605 1.00 60.52 ATOM 35 HB1 ALA 3 2.406 -12.203 -4.161 1.00 34.01 ATOM 36 HB2 ALA 3 3.176 -12.205 -2.575 1.00 14.34 ATOM 37 HB3 ALA 3 4.158 -12.367 -4.030 1.00 20.44 ATOM 38 C ALA 3 2.186 -9.686 -3.092 1.00 32.52 ATOM 39 O ALA 3 1.441 -10.266 -2.297 1.00 12.33 ATOM 40 N SER 4 1.989 -8.429 -3.481 1.00 41.42 ATOM 41 HN SER 4 2.650 -8.008 -4.073 1.00 37.11 ATOM 42 CA SER 4 0.820 -7.649 -3.049 1.00 63.00 ATOM 43 HA SER 4 0.598 -7.915 -2.025 1.00 40.54 ATOM 44 CB SER 4 1.114 -6.142 -3.121 1.00 54.42 ATOM 45 HB1 SER 4 0.223 -5.591 -2.851 1.00 37.11 ATOM 46 HB2 SER 4 1.403 -5.880 -4.127 1.00 72.42 ATOM 47 OG SER 4 2.161 -5.769 -2.238 1.00 0.45 ATOM 48 HG SER 4 2.175 -4.806 -2.157 1.00 30.02 ATOM 49 C SER 4 -0.396 -7.966 -3.920 1.00 54.05 ATOM 50 O SER 4 -0.351 -7.799 -5.138 1.00 40.04 ATOM 51 N THR 5 -1.483 -8.420 -3.297 1.00 42.31 ATOM 52 HN THR 5 -1.459 -8.552 -2.325 1.00 37.11 ATOM 53 CA THR 5 -2.715 -8.740 -4.032 1.00 21.32 ATOM 54 HA THR 5 -2.489 -9.551 -4.713 1.00 71.43 ATOM 55 CB THR 5 -3.847 -9.208 -3.083 1.00 20.44 ATOM 56 HB THR 5 -4.096 -8.395 -2.413 1.00 32.23 ATOM 57 OG1 THR 5 -3.407 -10.335 -2.308 1.00 14.51 ATOM 58 HG1 THR 5 -3.376 -11.117 -2.874 1.00 74.13 ATOM 59 CG2 THR 5 -5.100 -9.594 -3.866 1.00 23.23 ATOM 60 HG21 THR 5 -5.449 -8.743 -4.432 1.00 51.54 ATOM 61 HG22 THR 5 -5.872 -9.909 -3.178 1.00 30.02 ATOM 62 HG23 THR 5 -4.868 -10.405 -4.541 1.00 13.33 ATOM 63 C THR 5 -3.207 -7.534 -4.845 1.00 33.42 ATOM 64 O THR 5 -3.794 -6.595 -4.301 1.00 41.01 ATOM 65 N VAL 6 -2.947 -7.565 -6.152 1.00 11.53 ATOM 66 HN VAL 6 -2.491 -8.348 -6.525 1.00 37.11 ATOM 67 CA VAL 6 -3.316 -6.465 -7.043 1.00 54.22 ATOM 68 HA VAL 6 -2.766 -5.591 -6.718 1.00 30.11 ATOM 69 CB VAL 6 -2.913 -6.761 -8.515 1.00 13.03 ATOM 70 HB VAL 6 -1.839 -6.889 -8.548 1.00 35.35 ATOM 71 CG1 VAL 6 -3.552 -8.055 -9.019 1.00 1.10 ATOM 72 HG11 VAL 6 -3.258 -8.877 -8.383 1.00 53.00 ATOM 73 HG12 VAL 6 -3.226 -8.249 -10.031 1.00 43.21 ATOM 74 HG13 VAL 6 -4.628 -7.956 -9.003 1.00 55.41 ATOM 75 CG2 VAL 6 -3.273 -5.586 -9.426 1.00 33.34 ATOM 76 HG21 VAL 6 -4.335 -5.401 -9.373 1.00 34.41 ATOM 77 HG22 VAL 6 -3.000 -5.824 -10.445 1.00 35.21 ATOM 78 HG23 VAL 6 -2.737 -4.703 -9.108 1.00 71.33 ATOM 79 C VAL 6 -4.818 -6.150 -6.966 1.00 51.30 ATOM 80 O VAL 6 -5.665 -7.004 -7.236 1.00 43.54 ATOM 81 N HIS 7 -5.141 -4.920 -6.574 1.00 71.34 ATOM 82 HN HIS 7 -4.429 -4.293 -6.335 1.00 37.11 ATOM 83 CA HIS 7 -6.535 -4.485 -6.505 1.00 64.50 ATOM 84 HA HIS 7 -7.103 -5.274 -6.030 1.00 11.00 ATOM 85 CB HIS 7 -6.666 -3.207 -5.664 1.00 24.51 ATOM 86 HB1 HIS 7 -7.712 -2.944 -5.581 1.00 37.11 ATOM 87 HB2 HIS 7 -6.136 -2.404 -6.156 1.00 31.35 ATOM 88 CG HIS 7 -6.116 -3.341 -4.273 1.00 40.12 ATOM 89 ND1 HIS 7 -5.815 -4.556 -3.693 1.00 11.53 ATOM 90 HD1 HIS 7 -5.943 -5.440 -4.105 1.00 25.15 ATOM 91 CD2 HIS 7 -5.796 -2.403 -3.350 1.00 42.22 ATOM 92 HD2 HIS 7 -5.900 -1.334 -3.460 1.00 53.40 ATOM 93 CE1 HIS 7 -5.337 -4.359 -2.483 1.00 33.22 ATOM 94 HE1 HIS 7 -5.015 -5.129 -1.800 1.00 32.45 ATOM 95 NE2 HIS 7 -5.314 -3.065 -2.250 1.00 65.22 ATOM 96 HE2 HIS 7 -5.130 -2.657 -1.379 1.00 37.11 ATOM 97 C HIS 7 -7.090 -4.265 -7.916 1.00 32.44 ATOM 98 O HIS 7 -7.011 -3.165 -8.462 1.00 63.40 ATOM 99 N THR 8 -7.603 -5.337 -8.513 1.00 61.33 ATOM 100 HN THR 8 -7.619 -6.187 -8.027 1.00 37.11 ATOM 101 CA THR 8 -8.136 -5.286 -9.878 1.00 34.21 ATOM 102 HA THR 8 -7.349 -4.912 -10.520 1.00 61.15 ATOM 103 CB THR 8 -8.532 -6.703 -10.381 1.00 33.34 ATOM 104 HB THR 8 -9.271 -7.115 -9.705 1.00 51.44 ATOM 105 OG1 THR 8 -7.376 -7.561 -10.381 1.00 44.15 ATOM 106 HG1 THR 8 -6.722 -7.209 -11.000 1.00 34.20 ATOM 107 CG2 THR 8 -9.126 -6.663 -11.788 1.00 21.25 ATOM 108 HG21 THR 8 -10.005 -6.035 -11.795 1.00 21.13 ATOM 109 HG22 THR 8 -9.396 -7.664 -12.092 1.00 21.21 ATOM 110 HG23 THR 8 -8.395 -6.266 -12.477 1.00 1.20 ATOM 111 C THR 8 -9.336 -4.333 -9.975 1.00 51.12 ATOM 112 O THR 8 -10.472 -4.697 -9.659 1.00 31.13 ATOM 113 N SER 9 -9.061 -3.091 -10.372 1.00 71.04 ATOM 114 HN SER 9 -8.126 -2.841 -10.525 1.00 37.11 ATOM 115 CA SER 9 -10.108 -2.081 -10.562 1.00 35.33 ATOM 116 HA SER 9 -10.768 -2.125 -9.707 1.00 14.01 ATOM 117 CB SER 9 -9.500 -0.672 -10.643 1.00 62.14 ATOM 118 HB1 SER 9 -10.285 0.048 -10.828 1.00 37.11 ATOM 119 HB2 SER 9 -8.786 -0.637 -11.451 1.00 31.20 ATOM 120 OG SER 9 -8.835 -0.320 -9.437 1.00 41.03 ATOM 121 HG SER 9 -8.132 0.311 -9.631 1.00 64.20 ATOM 122 C SER 9 -10.928 -2.363 -11.827 1.00 74.02 ATOM 123 O SER 9 -10.551 -3.192 -12.659 1.00 13.43 ATOM 124 N PHE 10 -12.041 -1.653 -11.976 1.00 63.13 ATOM 125 HN PHE 10 -12.231 -0.932 -11.342 1.00 37.11 ATOM 126 CA PHE 10 -12.980 -1.906 -13.072 1.00 63.12 ATOM 127 HA PHE 10 -12.551 -2.670 -13.708 1.00 65.33 ATOM 128 CB PHE 10 -14.307 -2.427 -12.507 1.00 31.42 ATOM 129 HB1 PHE 10 -14.975 -2.662 -13.323 1.00 37.11 ATOM 130 HB2 PHE 10 -14.757 -1.661 -11.889 1.00 51.14 ATOM 131 CG PHE 10 -14.141 -3.669 -11.665 1.00 45.01 ATOM 132 CD1 PHE 10 -14.033 -4.919 -12.260 1.00 10.51 ATOM 133 HD1 PHE 10 -14.082 -5.001 -13.337 1.00 61.44 ATOM 134 CD2 PHE 10 -14.073 -3.583 -10.282 1.00 31.41 ATOM 135 HD2 PHE 10 -14.155 -2.615 -9.806 1.00 35.51 ATOM 136 CE1 PHE 10 -13.868 -6.056 -11.491 1.00 14.11 ATOM 137 HE1 PHE 10 -13.790 -7.026 -11.967 1.00 5.11 ATOM 138 CE2 PHE 10 -13.909 -4.716 -9.510 1.00 10.10 ATOM 139 HE2 PHE 10 -13.860 -4.633 -8.433 1.00 41.00 ATOM 140 CZ PHE 10 -13.803 -5.953 -10.115 1.00 53.24 ATOM 141 HZ PHE 10 -13.673 -6.841 -9.512 1.00 15.20 ATOM 142 C PHE 10 -13.207 -0.644 -13.915 1.00 2.31 ATOM 143 O PHE 10 -13.485 0.430 -13.382 1.00 44.54 ATOM 144 N ILE 11 -13.083 -0.786 -15.232 1.00 34.31 ATOM 145 HN ILE 11 -12.912 -1.679 -15.595 1.00 37.11 ATOM 146 CA ILE 11 -13.204 0.348 -16.158 1.00 54.20 ATOM 147 HA ILE 11 -13.191 1.262 -15.578 1.00 51.51 ATOM 148 CB ILE 11 -12.020 0.389 -17.159 1.00 10.12 ATOM 149 HB ILE 11 -12.117 -0.454 -17.828 1.00 3.01 ATOM 150 CG1 ILE 11 -10.679 0.285 -16.413 1.00 74.11 ATOM 151 HG11 ILE 11 -10.650 -0.647 -15.866 1.00 37.11 ATOM 152 HG12 ILE 11 -10.594 1.105 -15.714 1.00 23.50 ATOM 153 CG2 ILE 11 -12.072 1.666 -18.000 1.00 53.35 ATOM 154 HG21 ILE 11 -13.017 1.720 -18.523 1.00 40.54 ATOM 155 HG22 ILE 11 -11.266 1.659 -18.720 1.00 74.41 ATOM 156 HG23 ILE 11 -11.968 2.527 -17.356 1.00 34.53 ATOM 157 CD1 ILE 11 -9.467 0.323 -17.324 1.00 4.14 ATOM 158 HD11 ILE 11 -8.568 0.239 -16.732 1.00 12.34 ATOM 159 HD12 ILE 11 -9.453 1.254 -17.870 1.00 21.10 ATOM 160 HD13 ILE 11 -9.516 -0.502 -18.022 1.00 52.22 ATOM 161 C ILE 11 -14.517 0.278 -16.952 1.00 44.52 ATOM 162 O ILE 11 -14.790 -0.713 -17.630 1.00 30.00 ATOM 163 N LEU 12 -15.321 1.333 -16.873 1.00 31.04 ATOM 164 HN LEU 12 -15.052 2.096 -16.323 1.00 37.11 ATOM 165 CA LEU 12 -16.603 1.379 -17.586 1.00 12.52 ATOM 166 HA LEU 12 -17.011 0.376 -17.596 1.00 55.41 ATOM 167 CB LEU 12 -17.586 2.302 -16.848 1.00 74.55 ATOM 168 HB1 LEU 12 -17.169 3.299 -16.835 1.00 37.11 ATOM 169 HB2 LEU 12 -17.674 1.957 -15.826 1.00 73.15 ATOM 170 CG LEU 12 -18.999 2.382 -17.455 1.00 20.04 ATOM 171 HG LEU 12 -18.917 2.678 -18.492 1.00 13.31 ATOM 172 CD1 LEU 12 -19.688 1.018 -17.416 1.00 31.22 ATOM 173 HD11 LEU 12 -19.119 0.308 -18.001 1.00 40.44 ATOM 174 HD12 LEU 12 -20.683 1.104 -17.829 1.00 51.34 ATOM 175 HD13 LEU 12 -19.752 0.671 -16.394 1.00 3.13 ATOM 176 CD2 LEU 12 -19.838 3.436 -16.733 1.00 72.54 ATOM 177 HD21 LEU 12 -20.840 3.442 -17.138 1.00 62.50 ATOM 178 HD22 LEU 12 -19.391 4.410 -16.872 1.00 45.24 ATOM 179 HD23 LEU 12 -19.879 3.208 -15.676 1.00 21.35 ATOM 180 C LEU 12 -16.430 1.859 -19.039 1.00 54.24 ATOM 181 O LEU 12 -15.795 2.885 -19.298 1.00 42.10 ATOM 182 N LYS 13 -16.993 1.105 -19.981 1.00 1.22 ATOM 183 HN LYS 13 -17.414 0.264 -19.718 1.00 37.11 ATOM 184 CA LYS 13 -17.008 1.493 -21.395 1.00 52.32 ATOM 185 HA LYS 13 -16.470 2.427 -21.488 1.00 11.23 ATOM 186 CB LYS 13 -16.328 0.437 -22.279 1.00 51.32 ATOM 187 HB1 LYS 13 -16.435 0.732 -23.315 1.00 37.11 ATOM 188 HB2 LYS 13 -16.830 -0.510 -22.136 1.00 34.14 ATOM 189 CG LYS 13 -14.844 0.234 -21.993 1.00 65.20 ATOM 190 HG1 LYS 13 -14.738 -0.344 -21.086 1.00 37.11 ATOM 191 HG2 LYS 13 -14.375 1.199 -21.862 1.00 31.02 ATOM 192 CD LYS 13 -14.146 -0.502 -23.135 1.00 21.14 ATOM 193 HD1 LYS 13 -13.112 -0.662 -22.864 1.00 37.11 ATOM 194 HD2 LYS 13 -14.192 0.111 -24.024 1.00 21.43 ATOM 195 CE LYS 13 -14.791 -1.853 -23.438 1.00 12.42 ATOM 196 HE1 LYS 13 -14.300 -2.286 -24.298 1.00 37.11 ATOM 197 HE2 LYS 13 -15.837 -1.698 -23.667 1.00 4.54 ATOM 198 NZ LYS 13 -14.682 -2.796 -22.296 1.00 4.25 ATOM 199 HZ1 LYS 13 -15.155 -3.693 -22.521 1.00 53.12 ATOM 200 HZ2 LYS 13 -15.117 -2.389 -21.448 1.00 61.15 ATOM 201 HZ3 LYS 13 -13.679 -2.991 -22.090 1.00 34.24 ATOM 202 C LYS 13 -18.440 1.708 -21.894 1.00 23.30 ATOM 203 O LYS 13 -19.370 1.022 -21.465 1.00 20.23 ATOM 204 N VAL 14 -18.606 2.654 -22.812 1.00 60.14 ATOM 205 HN VAL 14 -17.828 3.181 -23.095 1.00 37.11 ATOM 206 CA VAL 14 -19.914 2.937 -23.409 1.00 40.40 ATOM 207 HA VAL 14 -20.576 2.116 -23.165 1.00 21.12 ATOM 208 CB VAL 14 -20.531 4.243 -22.837 1.00 62.32 ATOM 209 HB VAL 14 -19.847 5.057 -23.040 1.00 1.25 ATOM 210 CG1 VAL 14 -21.862 4.566 -23.518 1.00 75.44 ATOM 211 HG11 VAL 14 -21.701 4.724 -24.576 1.00 21.21 ATOM 212 HG12 VAL 14 -22.283 5.462 -23.083 1.00 53.42 ATOM 213 HG13 VAL 14 -22.550 3.745 -23.378 1.00 12.34 ATOM 214 CG2 VAL 14 -20.714 4.143 -21.322 1.00 61.21 ATOM 215 HG21 VAL 14 -19.755 3.977 -20.852 1.00 72.24 ATOM 216 HG22 VAL 14 -21.374 3.320 -21.091 1.00 52.43 ATOM 217 HG23 VAL 14 -21.142 5.063 -20.949 1.00 41.10 ATOM 218 C VAL 14 -19.817 3.050 -24.941 1.00 73.34 ATOM 219 O VAL 14 -19.190 3.969 -25.471 1.00 15.21 ATOM 220 N LEU 15 -20.442 2.111 -25.648 1.00 75.42 ATOM 221 HN LEU 15 -20.863 1.365 -25.177 1.00 37.11 ATOM 222 CA LEU 15 -20.513 2.165 -27.110 1.00 63.33 ATOM 223 HA LEU 15 -19.571 2.549 -27.480 1.00 12.30 ATOM 224 CB LEU 15 -20.750 0.751 -27.684 1.00 62.15 ATOM 225 HB1 LEU 15 -21.810 0.539 -27.634 1.00 37.11 ATOM 226 HB2 LEU 15 -20.237 0.044 -27.046 1.00 23.50 ATOM 227 CG LEU 15 -20.280 0.508 -29.135 1.00 42.50 ATOM 228 HG LEU 15 -19.220 0.718 -29.199 1.00 72.21 ATOM 229 CD1 LEU 15 -20.484 -0.957 -29.522 1.00 11.30 ATOM 230 HD11 LEU 15 -21.536 -1.201 -29.470 1.00 15.12 ATOM 231 HD12 LEU 15 -19.935 -1.590 -28.840 1.00 74.11 ATOM 232 HD13 LEU 15 -20.127 -1.120 -30.528 1.00 14.01 ATOM 233 CD2 LEU 15 -21.001 1.428 -30.120 1.00 1.23 ATOM 234 HD21 LEU 15 -20.781 2.459 -29.879 1.00 20.32 ATOM 235 HD22 LEU 15 -22.068 1.265 -30.055 1.00 53.34 ATOM 236 HD23 LEU 15 -20.666 1.216 -31.125 1.00 14.41 ATOM 237 C LEU 15 -21.643 3.127 -27.515 1.00 70.23 ATOM 238 O LEU 15 -22.827 2.787 -27.447 1.00 4.53 ATOM 239 N TRP 16 -21.260 4.331 -27.925 1.00 51.31 ATOM 240 HN TRP 16 -20.310 4.489 -28.110 1.00 37.11 ATOM 241 CA TRP 16 -22.212 5.424 -28.129 1.00 25.22 ATOM 242 HA TRP 16 -23.040 5.277 -27.447 1.00 63.24 ATOM 243 CB TRP 16 -21.528 6.757 -27.791 1.00 22.42 ATOM 244 HB1 TRP 16 -20.796 6.979 -28.555 1.00 37.11 ATOM 245 HB2 TRP 16 -21.024 6.663 -26.839 1.00 43.51 ATOM 246 CG TRP 16 -22.472 7.923 -27.698 1.00 41.35 ATOM 247 CD1 TRP 16 -22.782 8.819 -28.683 1.00 21.31 ATOM 248 HD1 TRP 16 -22.370 8.792 -29.682 1.00 33.24 ATOM 249 CD2 TRP 16 -23.228 8.316 -26.547 1.00 65.04 ATOM 250 NE1 TRP 16 -23.684 9.741 -28.214 1.00 33.43 ATOM 251 HE1 TRP 16 -24.062 10.483 -28.732 1.00 0.21 ATOM 252 CE2 TRP 16 -23.973 9.455 -26.905 1.00 5.14 ATOM 253 CE3 TRP 16 -23.347 7.815 -25.247 1.00 24.15 ATOM 254 HE3 TRP 16 -22.791 6.943 -24.932 1.00 41.11 ATOM 255 CZ2 TRP 16 -24.825 10.098 -26.013 1.00 25.51 ATOM 256 HZ2 TRP 16 -25.394 10.972 -26.295 1.00 52.02 ATOM 257 CZ3 TRP 16 -24.193 8.454 -24.362 1.00 30.33 ATOM 258 HZ3 TRP 16 -24.298 8.080 -23.353 1.00 32.33 ATOM 259 CH2 TRP 16 -24.923 9.585 -24.748 1.00 35.00 ATOM 260 HH2 TRP 16 -25.571 10.054 -24.022 1.00 41.20 ATOM 261 C TRP 16 -22.752 5.453 -29.569 1.00 75.02 ATOM 262 O TRP 16 -22.012 5.720 -30.517 1.00 64.11 ATOM 263 N LEU 17 -24.044 5.171 -29.725 1.00 63.31 ATOM 264 HN LEU 17 -24.569 4.893 -28.942 1.00 37.11 ATOM 265 CA LEU 17 -24.712 5.258 -31.031 1.00 62.53 ATOM 266 HA LEU 17 -23.986 5.588 -31.763 1.00 63.35 ATOM 267 CB LEU 17 -25.248 3.878 -31.447 1.00 32.11 ATOM 268 HB1 LEU 17 -25.737 3.979 -32.406 1.00 37.11 ATOM 269 HB2 LEU 17 -25.987 3.570 -30.720 1.00 22.23 ATOM 270 CG LEU 17 -24.190 2.767 -31.561 1.00 43.21 ATOM 271 HG LEU 17 -23.654 2.696 -30.624 1.00 73.24 ATOM 272 CD1 LEU 17 -24.853 1.416 -31.820 1.00 31.21 ATOM 273 HD11 LEU 17 -25.542 1.194 -31.018 1.00 24.44 ATOM 274 HD12 LEU 17 -24.096 0.646 -31.864 1.00 21.33 ATOM 275 HD13 LEU 17 -25.390 1.448 -32.757 1.00 14.23 ATOM 276 CD2 LEU 17 -23.177 3.094 -32.659 1.00 31.12 ATOM 277 HD21 LEU 17 -22.675 4.021 -32.421 1.00 22.35 ATOM 278 HD22 LEU 17 -23.687 3.195 -33.606 1.00 2.42 ATOM 279 HD23 LEU 17 -22.447 2.299 -32.726 1.00 2.42 ATOM 280 C LEU 17 -25.856 6.285 -30.980 1.00 52.43 ATOM 281 O LEU 17 -26.066 6.948 -29.961 1.00 10.53 ATOM 282 N ASP 18 -26.582 6.431 -32.084 1.00 5.23 ATOM 283 HN ASP 18 -26.350 5.908 -32.881 1.00 37.11 ATOM 284 CA ASP 18 -27.709 7.366 -32.149 1.00 52.41 ATOM 285 HA ASP 18 -27.456 8.237 -31.557 1.00 54.23 ATOM 286 CB ASP 18 -27.941 7.800 -33.599 1.00 12.04 ATOM 287 HB1 ASP 18 -28.735 8.534 -33.628 1.00 37.11 ATOM 288 HB2 ASP 18 -28.231 6.939 -34.186 1.00 14.43 ATOM 289 CG ASP 18 -26.695 8.407 -34.219 1.00 23.33 ATOM 290 OD1 ASP 18 -26.612 9.646 -34.322 1.00 53.31 ATOM 291 OD2 ASP 18 -25.783 7.643 -34.596 1.00 20.32 ATOM 292 C ASP 18 -28.987 6.734 -31.577 1.00 0.33 ATOM 293 O ASP 18 -29.619 7.284 -30.677 1.00 50.13 ATOM 294 N GLN 19 -29.351 5.567 -32.105 1.00 52.02 ATOM 295 HN GLN 19 -28.781 5.162 -32.794 1.00 37.11 ATOM 296 CA GLN 19 -30.575 4.867 -31.695 1.00 41.34 ATOM 297 HA GLN 19 -31.285 5.608 -31.357 1.00 2.14 ATOM 298 CB GLN 19 -31.171 4.129 -32.902 1.00 3.10 ATOM 299 HB1 GLN 19 -32.075 3.622 -32.591 1.00 37.11 ATOM 300 HB2 GLN 19 -30.457 3.392 -33.247 1.00 72.34 ATOM 301 CG GLN 19 -31.514 5.048 -34.074 1.00 13.23 ATOM 302 HG1 GLN 19 -30.631 5.609 -34.347 1.00 37.11 ATOM 303 HG2 GLN 19 -32.291 5.733 -33.763 1.00 32.51 ATOM 304 CD GLN 19 -32.005 4.291 -35.297 1.00 33.33 ATOM 305 OE1 GLN 19 -33.197 4.044 -35.460 1.00 74.44 ATOM 306 NE2 GLN 19 -31.090 3.927 -36.173 1.00 63.51 ATOM 307 HE21 GLN 19 -30.156 4.163 -35.993 1.00 23.21 ATOM 308 HE22 GLN 19 -31.381 3.429 -36.966 1.00 63.42 ATOM 309 C GLN 19 -30.315 3.877 -30.547 1.00 33.31 ATOM 310 O GLN 19 -31.252 3.414 -29.890 1.00 0.05 ATOM 311 N ASN 20 -29.044 3.550 -30.312 1.00 30.42 ATOM 312 HN ASN 20 -28.339 3.980 -30.838 1.00 37.11 ATOM 313 CA ASN 20 -28.665 2.583 -29.269 1.00 10.43 ATOM 314 HA ASN 20 -29.513 2.456 -28.610 1.00 52.34 ATOM 315 CB ASN 20 -28.316 1.223 -29.895 1.00 74.44 ATOM 316 HB1 ASN 20 -27.989 0.549 -29.114 1.00 37.11 ATOM 317 HB2 ASN 20 -27.509 1.359 -30.601 1.00 2.04 ATOM 318 CG ASN 20 -29.481 0.573 -30.628 1.00 55.14 ATOM 319 OD1 ASN 20 -29.290 -0.153 -31.594 1.00 2.44 ATOM 320 ND2 ASN 20 -30.697 0.818 -30.177 1.00 41.21 ATOM 321 HD21 ASN 20 -30.795 1.403 -29.400 1.00 22.22 ATOM 322 HD22 ASN 20 -31.453 0.407 -30.646 1.00 32.54 ATOM 323 C ASN 20 -27.470 3.080 -28.437 1.00 64.41 ATOM 324 O ASN 20 -26.728 3.970 -28.850 1.00 71.21 ATOM 325 N VAL 21 -27.298 2.489 -27.262 1.00 31.43 ATOM 326 HN VAL 21 -27.973 1.849 -26.951 1.00 37.11 ATOM 327 CA VAL 21 -26.150 2.777 -26.397 1.00 14.51 ATOM 328 HA VAL 21 -25.306 3.010 -27.036 1.00 4.33 ATOM 329 CB VAL 21 -26.426 4.007 -25.488 1.00 74.42 ATOM 330 HB VAL 21 -26.491 4.884 -26.121 1.00 73.45 ATOM 331 CG1 VAL 21 -27.754 3.859 -24.762 1.00 34.22 ATOM 332 HG11 VAL 21 -27.722 2.987 -24.125 1.00 43.42 ATOM 333 HG12 VAL 21 -28.551 3.746 -25.483 1.00 74.42 ATOM 334 HG13 VAL 21 -27.937 4.738 -24.159 1.00 23.34 ATOM 335 CG2 VAL 21 -25.298 4.230 -24.485 1.00 25.54 ATOM 336 HG21 VAL 21 -25.518 5.102 -23.885 1.00 64.11 ATOM 337 HG22 VAL 21 -24.368 4.381 -25.013 1.00 40.03 ATOM 338 HG23 VAL 21 -25.211 3.365 -23.842 1.00 20.22 ATOM 339 C VAL 21 -25.796 1.542 -25.547 1.00 25.21 ATOM 340 O VAL 21 -26.625 1.029 -24.792 1.00 34.44 ATOM 341 N ALA 22 -24.569 1.050 -25.695 1.00 70.14 ATOM 342 HN ALA 22 -23.926 1.534 -26.261 1.00 37.11 ATOM 343 CA ALA 22 -24.147 -0.190 -25.031 1.00 13.34 ATOM 344 HA ALA 22 -25.024 -0.650 -24.594 1.00 52.45 ATOM 345 CB ALA 22 -23.578 -1.157 -26.062 1.00 43.05 ATOM 346 HB1 ALA 22 -24.295 -1.297 -26.858 1.00 11.30 ATOM 347 HB2 ALA 22 -23.373 -2.109 -25.591 1.00 12.22 ATOM 348 HB3 ALA 22 -22.663 -0.754 -26.471 1.00 22.43 ATOM 349 C ALA 22 -23.121 0.066 -23.919 1.00 24.14 ATOM 350 O ALA 22 -22.216 0.880 -24.074 1.00 32.14 ATOM 351 N ILE 23 -23.265 -0.642 -22.799 1.00 1.02 ATOM 352 HN ILE 23 -24.018 -1.265 -22.726 1.00 37.11 ATOM 353 CA ILE 23 -22.337 -0.507 -21.666 1.00 10.43 ATOM 354 HA ILE 23 -21.632 0.281 -21.904 1.00 41.23 ATOM 355 CB ILE 23 -23.087 -0.099 -20.368 1.00 73.54 ATOM 356 HB ILE 23 -22.369 -0.084 -19.559 1.00 72.12 ATOM 357 CG1 ILE 23 -24.197 -1.116 -20.032 1.00 52.41 ATOM 358 HG11 ILE 23 -23.753 -2.094 -19.910 1.00 37.11 ATOM 359 HG12 ILE 23 -24.909 -1.151 -20.846 1.00 61.23 ATOM 360 CG2 ILE 23 -23.662 1.313 -20.505 1.00 53.13 ATOM 361 HG21 ILE 23 -22.860 2.013 -20.697 1.00 71.25 ATOM 362 HG22 ILE 23 -24.165 1.591 -19.589 1.00 45.21 ATOM 363 HG23 ILE 23 -24.367 1.340 -21.324 1.00 0.30 ATOM 364 CD1 ILE 23 -24.963 -0.794 -18.761 1.00 64.03 ATOM 365 HD11 ILE 23 -24.277 -0.761 -17.926 1.00 12.03 ATOM 366 HD12 ILE 23 -25.706 -1.558 -18.584 1.00 33.21 ATOM 367 HD13 ILE 23 -25.450 0.164 -18.864 1.00 2.44 ATOM 368 C ILE 23 -21.548 -1.806 -21.413 1.00 14.13 ATOM 369 O ILE 23 -22.063 -2.906 -21.615 1.00 3.21 ATOM 370 N ALA 24 -20.296 -1.663 -20.972 1.00 72.01 ATOM 371 HN ALA 24 -19.948 -0.756 -20.833 1.00 37.11 ATOM 372 CA ALA 24 -19.420 -2.812 -20.689 1.00 61.12 ATOM 373 HA ALA 24 -20.035 -3.621 -20.316 1.00 44.12 ATOM 374 CB ALA 24 -18.734 -3.285 -21.968 1.00 41.12 ATOM 375 HB1 ALA 24 -18.171 -4.186 -21.767 1.00 51.45 ATOM 376 HB2 ALA 24 -18.064 -2.516 -22.324 1.00 21.14 ATOM 377 HB3 ALA 24 -19.479 -3.488 -22.724 1.00 0.41 ATOM 378 C ALA 24 -18.370 -2.460 -19.625 1.00 42.05 ATOM 379 O ALA 24 -18.176 -1.292 -19.306 1.00 44.25 ATOM 380 N VAL 25 -17.692 -3.470 -19.074 1.00 64.44 ATOM 381 HN VAL 25 -17.892 -4.391 -19.352 1.00 37.11 ATOM 382 CA VAL 25 -16.660 -3.240 -18.044 1.00 34.44 ATOM 383 HA VAL 25 -16.413 -2.186 -18.052 1.00 62.50 ATOM 384 CB VAL 25 -17.187 -3.600 -16.623 1.00 1.33 ATOM 385 HB VAL 25 -17.438 -4.653 -16.615 1.00 32.43 ATOM 386 CG1 VAL 25 -16.115 -3.363 -15.556 1.00 45.25 ATOM 387 HG11 VAL 25 -15.797 -2.330 -15.584 1.00 62.20 ATOM 388 HG12 VAL 25 -15.265 -4.003 -15.747 1.00 13.44 ATOM 389 HG13 VAL 25 -16.519 -3.589 -14.578 1.00 31.25 ATOM 390 CG2 VAL 25 -18.454 -2.811 -16.293 1.00 42.20 ATOM 391 HG21 VAL 25 -19.211 -3.015 -17.038 1.00 3.45 ATOM 392 HG22 VAL 25 -18.232 -1.754 -16.290 1.00 52.42 ATOM 393 HG23 VAL 25 -18.821 -3.105 -15.319 1.00 34.13 ATOM 394 C VAL 25 -15.375 -4.049 -18.321 1.00 72.21 ATOM 395 O VAL 25 -15.430 -5.170 -18.833 1.00 74.41 ATOM 396 N ASP 26 -14.221 -3.464 -17.988 1.00 41.14 ATOM 397 HN ASP 26 -14.234 -2.534 -17.678 1.00 37.11 ATOM 398 CA ASP 26 -12.929 -4.162 -18.078 1.00 22.54 ATOM 399 HA ASP 26 -13.103 -5.133 -18.524 1.00 3.35 ATOM 400 CB ASP 26 -11.945 -3.381 -18.956 1.00 64.30 ATOM 401 HB1 ASP 26 -11.007 -3.919 -19.005 1.00 37.11 ATOM 402 HB2 ASP 26 -11.771 -2.409 -18.515 1.00 1.41 ATOM 403 CG ASP 26 -12.456 -3.186 -20.366 1.00 22.30 ATOM 404 OD1 ASP 26 -12.563 -2.026 -20.812 1.00 53.44 ATOM 405 OD2 ASP 26 -12.774 -4.187 -21.038 1.00 35.41 ATOM 406 C ASP 26 -12.309 -4.362 -16.687 1.00 54.11 ATOM 407 O ASP 26 -12.535 -3.569 -15.773 1.00 45.13 ATOM 408 N GLN 27 -11.523 -5.423 -16.542 1.00 24.14 ATOM 409 HN GLN 27 -11.416 -6.037 -17.298 1.00 37.11 ATOM 410 CA GLN 27 -10.808 -5.705 -15.294 1.00 22.11 ATOM 411 HA GLN 27 -11.234 -5.086 -14.515 1.00 22.10 ATOM 412 CB GLN 27 -10.988 -7.186 -14.909 1.00 11.43 ATOM 413 HB1 GLN 27 -12.041 -7.384 -14.771 1.00 37.11 ATOM 414 HB2 GLN 27 -10.475 -7.368 -13.975 1.00 51.35 ATOM 415 CG GLN 27 -10.450 -8.165 -15.949 1.00 34.24 ATOM 416 HG1 GLN 27 -9.376 -8.055 -16.003 1.00 37.11 ATOM 417 HG2 GLN 27 -10.881 -7.923 -16.910 1.00 34.32 ATOM 418 CD GLN 27 -10.776 -9.614 -15.629 1.00 32.04 ATOM 419 OE1 GLN 27 -11.802 -10.136 -16.048 1.00 43.43 ATOM 420 NE2 GLN 27 -9.912 -10.277 -14.887 1.00 45.40 ATOM 421 HE21 GLN 27 -9.107 -9.812 -14.577 1.00 63.40 ATOM 422 HE22 GLN 27 -10.112 -11.213 -14.677 1.00 30.44 ATOM 423 C GLN 27 -9.312 -5.366 -15.436 1.00 53.25 ATOM 424 O GLN 27 -8.647 -5.817 -16.373 1.00 13.32 ATOM 425 N ILE 28 -8.788 -4.554 -14.519 1.00 61.53 ATOM 426 HN ILE 28 -9.370 -4.182 -13.821 1.00 37.11 ATOM 427 CA ILE 28 -7.363 -4.195 -14.535 1.00 72.21 ATOM 428 HA ILE 28 -7.067 -4.087 -15.572 1.00 23.21 ATOM 429 CB ILE 28 -7.101 -2.843 -13.819 1.00 73.32 ATOM 430 HB ILE 28 -7.463 -2.923 -12.801 1.00 31.10 ATOM 431 CG1 ILE 28 -7.867 -1.716 -14.533 1.00 24.31 ATOM 432 HG11 ILE 28 -8.927 -1.910 -14.453 1.00 37.11 ATOM 433 HG12 ILE 28 -7.589 -1.702 -15.576 1.00 42.35 ATOM 434 CG2 ILE 28 -5.602 -2.534 -13.765 1.00 20.34 ATOM 435 HG21 ILE 28 -5.444 -1.592 -13.260 1.00 73.23 ATOM 436 HG22 ILE 28 -5.209 -2.473 -14.769 1.00 25.33 ATOM 437 HG23 ILE 28 -5.090 -3.320 -13.227 1.00 1.14 ATOM 438 CD1 ILE 28 -7.607 -0.333 -13.972 1.00 23.32 ATOM 439 HD11 ILE 28 -8.220 0.386 -14.496 1.00 11.55 ATOM 440 HD12 ILE 28 -6.564 -0.077 -14.102 1.00 42.02 ATOM 441 HD13 ILE 28 -7.852 -0.316 -12.922 1.00 32.23 ATOM 442 C ILE 28 -6.510 -5.307 -13.904 1.00 5.20 ATOM 443 O ILE 28 -6.417 -5.432 -12.681 1.00 63.35 ATOM 444 N VAL 29 -5.900 -6.121 -14.759 1.00 73.32 ATOM 445 HN VAL 29 -5.955 -5.921 -15.717 1.00 37.11 ATOM 446 CA VAL 29 -5.133 -7.290 -14.320 1.00 40.25 ATOM 447 HA VAL 29 -5.652 -7.736 -13.481 1.00 62.41 ATOM 448 CB VAL 29 -5.047 -8.343 -15.458 1.00 5.14 ATOM 449 HB VAL 29 -4.377 -7.962 -16.218 1.00 74.14 ATOM 450 CG1 VAL 29 -4.476 -9.662 -14.948 1.00 5.22 ATOM 451 HG11 VAL 29 -5.084 -10.023 -14.129 1.00 11.45 ATOM 452 HG12 VAL 29 -3.464 -9.510 -14.605 1.00 43.13 ATOM 453 HG13 VAL 29 -4.479 -10.391 -15.746 1.00 22.35 ATOM 454 CG2 VAL 29 -6.418 -8.559 -16.100 1.00 33.45 ATOM 455 HG21 VAL 29 -6.338 -9.304 -16.879 1.00 43.43 ATOM 456 HG22 VAL 29 -6.767 -7.630 -16.528 1.00 54.54 ATOM 457 HG23 VAL 29 -7.121 -8.896 -15.350 1.00 60.31 ATOM 458 C VAL 29 -3.713 -6.894 -13.874 1.00 0.41 ATOM 459 O VAL 29 -3.206 -5.839 -14.250 1.00 52.54 ATOM 460 N GLY 30 -3.071 -7.757 -13.086 1.00 31.40 ATOM 461 HN GLY 30 -3.518 -8.596 -12.838 1.00 37.11 ATOM 462 CA GLY 30 -1.732 -7.475 -12.567 1.00 31.33 ATOM 463 HA1 GLY 30 -1.385 -8.347 -12.030 1.00 37.11 ATOM 464 HA2 GLY 30 -1.804 -6.653 -11.870 1.00 0.32 ATOM 465 C GLY 30 -0.692 -7.112 -13.634 1.00 75.13 ATOM 466 O GLY 30 0.333 -6.502 -13.319 1.00 71.24 ATOM 467 N LYS 31 -0.946 -7.481 -14.891 1.00 21.25 ATOM 468 HN LYS 31 -1.773 -7.968 -15.085 1.00 37.11 ATOM 469 CA LYS 31 -0.013 -7.185 -15.989 1.00 71.03 ATOM 470 HA LYS 31 0.856 -6.701 -15.562 1.00 30.21 ATOM 471 CB LYS 31 0.434 -8.494 -16.661 1.00 3.01 ATOM 472 HB1 LYS 31 -0.408 -8.914 -17.193 1.00 37.11 ATOM 473 HB2 LYS 31 0.742 -9.191 -15.892 1.00 44.33 ATOM 474 CG LYS 31 1.592 -8.329 -17.648 1.00 4.54 ATOM 475 HG1 LYS 31 2.425 -7.868 -17.134 1.00 37.11 ATOM 476 HG2 LYS 31 1.272 -7.688 -18.457 1.00 5.51 ATOM 477 CD LYS 31 2.048 -9.667 -18.231 1.00 75.02 ATOM 478 HD1 LYS 31 2.291 -10.335 -17.416 1.00 37.11 ATOM 479 HD2 LYS 31 2.930 -9.501 -18.832 1.00 64.21 ATOM 480 CE LYS 31 0.976 -10.319 -19.103 1.00 21.24 ATOM 481 HE1 LYS 31 0.075 -10.443 -18.518 1.00 37.11 ATOM 482 HE2 LYS 31 1.329 -11.290 -19.422 1.00 4.34 ATOM 483 NZ LYS 31 0.662 -9.505 -20.307 1.00 44.13 ATOM 484 HZ1 LYS 31 1.535 -9.289 -20.834 1.00 23.50 ATOM 485 HZ2 LYS 31 0.210 -8.611 -20.034 1.00 65.43 ATOM 486 HZ3 LYS 31 0.018 -10.028 -20.934 1.00 61.32 ATOM 487 C LYS 31 -0.636 -6.233 -17.034 1.00 33.22 ATOM 488 O LYS 31 -0.005 -5.903 -18.036 1.00 33.14 ATOM 489 N GLY 32 -1.864 -5.774 -16.789 1.00 31.40 ATOM 490 HN GLY 32 -2.310 -6.016 -15.950 1.00 37.11 ATOM 491 CA GLY 32 -2.537 -4.891 -17.743 1.00 3.22 ATOM 492 HA1 GLY 32 -2.325 -5.237 -18.746 1.00 37.11 ATOM 493 HA2 GLY 32 -2.139 -3.894 -17.631 1.00 45.43 ATOM 494 C GLY 32 -4.051 -4.833 -17.554 1.00 45.01 ATOM 495 O GLY 32 -4.538 -4.635 -16.445 1.00 11.31 ATOM 496 N THR 33 -4.802 -4.998 -18.642 1.00 53.00 ATOM 497 HN THR 33 -4.361 -5.138 -19.506 1.00 37.11 ATOM 498 CA THR 33 -6.274 -4.979 -18.589 1.00 64.55 ATOM 499 HA THR 33 -6.577 -5.061 -17.552 1.00 64.54 ATOM 500 CB THR 33 -6.858 -3.662 -19.165 1.00 0.35 ATOM 501 HB THR 33 -7.936 -3.703 -19.088 1.00 42.35 ATOM 502 OG1 THR 33 -6.499 -3.528 -20.550 1.00 31.00 ATOM 503 HG1 THR 33 -5.996 -2.713 -20.677 1.00 30.30 ATOM 504 CG2 THR 33 -6.364 -2.444 -18.385 1.00 60.03 ATOM 505 HG21 THR 33 -6.812 -1.549 -18.793 1.00 24.31 ATOM 506 HG22 THR 33 -5.289 -2.375 -18.466 1.00 11.44 ATOM 507 HG23 THR 33 -6.643 -2.540 -17.345 1.00 42.20 ATOM 508 C THR 33 -6.872 -6.152 -19.374 1.00 62.31 ATOM 509 O THR 33 -6.205 -6.751 -20.219 1.00 63.31 ATOM 510 N SER 34 -8.128 -6.481 -19.090 1.00 1.11 ATOM 511 HN SER 34 -8.603 -5.989 -18.386 1.00 37.11 ATOM 512 CA SER 34 -8.826 -7.566 -19.796 1.00 73.25 ATOM 513 HA SER 34 -8.446 -7.605 -20.808 1.00 34.22 ATOM 514 CB SER 34 -8.556 -8.913 -19.108 1.00 40.03 ATOM 515 HB1 SER 34 -8.946 -8.884 -18.100 1.00 37.11 ATOM 516 HB2 SER 34 -7.491 -9.091 -19.075 1.00 2.32 ATOM 517 OG SER 34 -9.176 -9.987 -19.806 1.00 63.02 ATOM 518 HG SER 34 -10.009 -10.213 -19.374 1.00 72.33 ATOM 519 C SER 34 -10.337 -7.313 -19.841 1.00 40.52 ATOM 520 O SER 34 -10.907 -6.795 -18.884 1.00 4.11 ATOM 521 N PRO 35 -11.013 -7.673 -20.950 1.00 63.12 ATOM 522 CA PRO 35 -12.474 -7.511 -21.067 1.00 52.22 ATOM 523 HA PRO 35 -12.760 -6.473 -20.970 1.00 54.34 ATOM 524 CB PRO 35 -12.777 -7.997 -22.498 1.00 50.15 ATOM 525 HB1 PRO 35 -12.865 -7.144 -23.159 1.00 37.11 ATOM 526 HB2 PRO 35 -13.702 -8.558 -22.509 1.00 74.20 ATOM 527 CG PRO 35 -11.611 -8.852 -22.870 1.00 74.54 ATOM 528 HG1 PRO 35 -11.466 -8.836 -23.941 1.00 37.11 ATOM 529 HG2 PRO 35 -11.773 -9.865 -22.529 1.00 13.43 ATOM 530 CD PRO 35 -10.424 -8.250 -22.173 1.00 1.52 ATOM 531 HD1 PRO 35 -9.974 -7.480 -22.784 1.00 37.11 ATOM 532 HD2 PRO 35 -9.697 -9.014 -21.932 1.00 43.34 ATOM 533 C PRO 35 -13.246 -8.344 -20.024 1.00 2.40 ATOM 534 O PRO 35 -13.214 -9.577 -20.049 1.00 3.44 ATOM 535 N LEU 36 -13.929 -7.664 -19.101 1.00 2.02 ATOM 536 HN LEU 36 -13.930 -6.683 -19.136 1.00 37.11 ATOM 537 CA LEU 36 -14.682 -8.343 -18.040 1.00 3.15 ATOM 538 HA LEU 36 -14.138 -9.237 -17.767 1.00 24.44 ATOM 539 CB LEU 36 -14.795 -7.436 -16.803 1.00 60.32 ATOM 540 HB1 LEU 36 -15.351 -6.552 -17.082 1.00 37.11 ATOM 541 HB2 LEU 36 -13.797 -7.132 -16.512 1.00 22.41 ATOM 542 CG LEU 36 -15.481 -8.068 -15.582 1.00 31.31 ATOM 543 HG LEU 36 -16.430 -8.483 -15.893 1.00 54.14 ATOM 544 CD1 LEU 36 -14.637 -9.213 -15.021 1.00 72.22 ATOM 545 HD11 LEU 36 -14.529 -9.982 -15.773 1.00 10.02 ATOM 546 HD12 LEU 36 -15.123 -9.629 -14.151 1.00 52.22 ATOM 547 HD13 LEU 36 -13.659 -8.842 -14.744 1.00 71.13 ATOM 548 CD2 LEU 36 -15.761 -7.015 -14.512 1.00 32.13 ATOM 549 HD21 LEU 36 -16.252 -7.478 -13.668 1.00 33.51 ATOM 550 HD22 LEU 36 -16.402 -6.247 -14.922 1.00 52.30 ATOM 551 HD23 LEU 36 -14.831 -6.569 -14.188 1.00 22.20 ATOM 552 C LEU 36 -16.085 -8.746 -18.525 1.00 14.32 ATOM 553 O LEU 36 -16.480 -9.911 -18.425 1.00 2.15 ATOM 554 N THR 37 -16.831 -7.770 -19.045 1.00 41.41 ATOM 555 HN THR 37 -16.457 -6.865 -19.097 1.00 37.11 ATOM 556 CA THR 37 -18.197 -8.008 -19.549 1.00 31.54 ATOM 557 HA THR 37 -18.393 -9.071 -19.501 1.00 61.42 ATOM 558 CB THR 37 -19.264 -7.276 -18.695 1.00 11.02 ATOM 559 HB THR 37 -20.245 -7.597 -19.019 1.00 22.11 ATOM 560 OG1 THR 37 -19.159 -5.852 -18.873 1.00 41.13 ATOM 561 HG1 THR 37 -20.018 -5.502 -19.140 1.00 63.23 ATOM 562 CG2 THR 37 -19.111 -7.614 -17.215 1.00 63.23 ATOM 563 HG21 THR 37 -18.142 -7.283 -16.867 1.00 64.24 ATOM 564 HG22 THR 37 -19.195 -8.683 -17.077 1.00 41.01 ATOM 565 HG23 THR 37 -19.885 -7.117 -16.649 1.00 25.24 ATOM 566 C THR 37 -18.348 -7.544 -21.005 1.00 33.35 ATOM 567 O THR 37 -17.528 -6.773 -21.516 1.00 4.10 ATOM 568 N SER 38 -19.405 -8.012 -21.666 1.00 4.31 ATOM 569 HN SER 38 -20.010 -8.637 -21.212 1.00 37.11 ATOM 570 CA SER 38 -19.696 -7.622 -23.055 1.00 4.32 ATOM 571 HA SER 38 -18.754 -7.430 -23.549 1.00 12.25 ATOM 572 CB SER 38 -20.416 -8.760 -23.795 1.00 4.34 ATOM 573 HB1 SER 38 -21.350 -8.979 -23.296 1.00 37.11 ATOM 574 HB2 SER 38 -19.793 -9.644 -23.789 1.00 70.44 ATOM 575 OG SER 38 -20.692 -8.407 -25.144 1.00 63.21 ATOM 576 HG SER 38 -20.669 -9.199 -25.693 1.00 53.13 ATOM 577 C SER 38 -20.549 -6.344 -23.114 1.00 31.35 ATOM 578 O SER 38 -20.920 -5.781 -22.082 1.00 11.32 ATOM 579 N TYR 39 -20.861 -5.896 -24.327 1.00 64.22 ATOM 580 HN TYR 39 -20.564 -6.407 -25.110 1.00 37.11 ATOM 581 CA TYR 39 -21.649 -4.674 -24.529 1.00 63.53 ATOM 582 HA TYR 39 -21.380 -3.976 -23.747 1.00 52.03 ATOM 583 CB TYR 39 -21.311 -4.043 -25.886 1.00 54.22 ATOM 584 HB1 TYR 39 -22.041 -3.279 -26.112 1.00 37.11 ATOM 585 HB2 TYR 39 -21.353 -4.806 -26.650 1.00 23.11 ATOM 586 CG TYR 39 -19.934 -3.404 -25.936 1.00 32.31 ATOM 587 CD1 TYR 39 -18.822 -4.116 -26.378 1.00 63.24 ATOM 588 HD1 TYR 39 -18.947 -5.142 -26.695 1.00 71.43 ATOM 589 CD2 TYR 39 -19.748 -2.083 -25.534 1.00 31.31 ATOM 590 HD2 TYR 39 -20.600 -1.514 -25.188 1.00 21.14 ATOM 591 CE1 TYR 39 -17.571 -3.531 -26.419 1.00 30.20 ATOM 592 HE1 TYR 39 -16.721 -4.100 -26.765 1.00 13.31 ATOM 593 CE2 TYR 39 -18.500 -1.494 -25.574 1.00 4.41 ATOM 594 HE2 TYR 39 -18.376 -0.468 -25.257 1.00 40.41 ATOM 595 CZ TYR 39 -17.415 -2.222 -26.016 1.00 23.10 ATOM 596 OH TYR 39 -16.171 -1.637 -26.058 1.00 71.45 ATOM 597 HH TYR 39 -15.718 -1.905 -26.867 1.00 44.53 ATOM 598 C TYR 39 -23.160 -4.945 -24.442 1.00 32.30 ATOM 599 O TYR 39 -23.737 -5.607 -25.306 1.00 24.21 ATOM 600 N PHE 40 -23.793 -4.424 -23.394 1.00 31.32 ATOM 601 HN PHE 40 -23.268 -3.939 -22.719 1.00 37.11 ATOM 602 CA PHE 40 -25.242 -4.563 -23.210 1.00 50.02 ATOM 603 HA PHE 40 -25.553 -5.475 -23.700 1.00 71.10 ATOM 604 CB PHE 40 -25.566 -4.669 -21.713 1.00 51.04 ATOM 605 HB1 PHE 40 -26.617 -4.895 -21.594 1.00 37.11 ATOM 606 HB2 PHE 40 -25.350 -3.724 -21.235 1.00 61.33 ATOM 607 CG PHE 40 -24.775 -5.747 -21.008 1.00 44.20 ATOM 608 CD1 PHE 40 -25.057 -7.090 -21.225 1.00 4.31 ATOM 609 HD1 PHE 40 -25.854 -7.361 -21.902 1.00 22.51 ATOM 610 CD2 PHE 40 -23.746 -5.418 -20.136 1.00 73.33 ATOM 611 HD2 PHE 40 -23.513 -4.378 -19.956 1.00 43.10 ATOM 612 CE1 PHE 40 -24.333 -8.079 -20.587 1.00 74.02 ATOM 613 HE1 PHE 40 -24.565 -9.121 -20.765 1.00 50.35 ATOM 614 CE2 PHE 40 -23.020 -6.406 -19.495 1.00 51.31 ATOM 615 HE2 PHE 40 -22.222 -6.136 -18.818 1.00 5.40 ATOM 616 CZ PHE 40 -23.313 -7.737 -19.721 1.00 52.11 ATOM 617 HZ PHE 40 -22.745 -8.509 -19.221 1.00 33.41 ATOM 618 C PHE 40 -25.991 -3.375 -23.847 1.00 13.21 ATOM 619 O PHE 40 -25.882 -2.241 -23.382 1.00 55.55 ATOM 620 N PHE 41 -26.751 -3.646 -24.912 1.00 23.13 ATOM 621 HN PHE 41 -26.879 -4.580 -25.175 1.00 37.11 ATOM 622 CA PHE 41 -27.392 -2.587 -25.711 1.00 4.11 ATOM 623 HA PHE 41 -26.703 -1.754 -25.749 1.00 21.12 ATOM 624 CB PHE 41 -27.626 -3.079 -27.149 1.00 61.45 ATOM 625 HB1 PHE 41 -28.214 -2.344 -27.684 1.00 37.11 ATOM 626 HB2 PHE 41 -28.172 -4.010 -27.118 1.00 35.30 ATOM 627 CG PHE 41 -26.354 -3.312 -27.926 1.00 2.13 ATOM 628 CD1 PHE 41 -25.670 -4.517 -27.829 1.00 41.23 ATOM 629 HD1 PHE 41 -26.056 -5.295 -27.186 1.00 4.54 ATOM 630 CD2 PHE 41 -25.845 -2.323 -28.757 1.00 32.32 ATOM 631 HD2 PHE 41 -26.368 -1.380 -28.842 1.00 31.04 ATOM 632 CE1 PHE 41 -24.505 -4.728 -28.541 1.00 34.41 ATOM 633 HE1 PHE 41 -23.984 -5.671 -28.455 1.00 74.22 ATOM 634 CE2 PHE 41 -24.680 -2.531 -29.471 1.00 4.24 ATOM 635 HE2 PHE 41 -24.294 -1.752 -30.114 1.00 1.13 ATOM 636 CZ PHE 41 -24.010 -3.735 -29.364 1.00 31.22 ATOM 637 HZ PHE 41 -23.100 -3.899 -29.922 1.00 71.15 ATOM 638 C PHE 41 -28.724 -2.081 -25.115 1.00 20.41 ATOM 639 O PHE 41 -29.750 -2.764 -25.167 1.00 40.21 ATOM 640 N TRP 42 -28.690 -0.873 -24.560 1.00 12.51 ATOM 641 HN TRP 42 -27.817 -0.442 -24.430 1.00 37.11 ATOM 642 CA TRP 42 -29.897 -0.152 -24.129 1.00 51.24 ATOM 643 HA TRP 42 -30.659 -0.881 -23.886 1.00 41.44 ATOM 644 CB TRP 42 -29.558 0.671 -22.864 1.00 60.21 ATOM 645 HB1 TRP 42 -28.577 1.107 -22.988 1.00 37.11 ATOM 646 HB2 TRP 42 -29.532 0.006 -22.013 1.00 14.22 ATOM 647 CG TRP 42 -30.520 1.786 -22.534 1.00 71.51 ATOM 648 CD1 TRP 42 -30.408 3.092 -22.914 1.00 51.54 ATOM 649 HD1 TRP 42 -29.608 3.478 -23.519 1.00 41.20 ATOM 650 CD2 TRP 42 -31.714 1.706 -21.739 1.00 51.14 ATOM 651 NE1 TRP 42 -31.447 3.826 -22.416 1.00 31.22 ATOM 652 HE1 TRP 42 -31.577 4.788 -22.558 1.00 64.11 ATOM 653 CE2 TRP 42 -32.267 3.002 -21.693 1.00 12.20 ATOM 654 CE3 TRP 42 -32.371 0.669 -21.067 1.00 34.42 ATOM 655 HE3 TRP 42 -31.983 -0.341 -21.076 1.00 72.53 ATOM 656 CZ2 TRP 42 -33.440 3.287 -21.003 1.00 70.14 ATOM 657 HZ2 TRP 42 -33.856 4.284 -20.974 1.00 45.42 ATOM 658 CZ3 TRP 42 -33.538 0.956 -20.382 1.00 32.42 ATOM 659 HZ3 TRP 42 -34.061 0.168 -19.858 1.00 54.22 ATOM 660 CH2 TRP 42 -34.061 2.256 -20.356 1.00 70.22 ATOM 661 HH2 TRP 42 -34.974 2.436 -19.808 1.00 32.31 ATOM 662 C TRP 42 -30.404 0.749 -25.281 1.00 64.22 ATOM 663 O TRP 42 -29.600 1.323 -26.016 1.00 2.33 ATOM 664 N PRO 43 -31.737 0.876 -25.489 1.00 53.45 ATOM 665 CA PRO 43 -32.775 0.201 -24.697 1.00 63.34 ATOM 666 HA PRO 43 -32.453 0.019 -23.682 1.00 60.12 ATOM 667 CB PRO 43 -33.881 1.257 -24.702 1.00 72.12 ATOM 668 HB1 PRO 43 -33.698 1.976 -23.916 1.00 37.11 ATOM 669 HB2 PRO 43 -34.842 0.784 -24.548 1.00 53.04 ATOM 670 CG PRO 43 -33.787 1.894 -26.057 1.00 75.54 ATOM 671 HG1 PRO 43 -34.046 2.941 -25.986 1.00 37.11 ATOM 672 HG2 PRO 43 -34.457 1.394 -26.745 1.00 73.25 ATOM 673 CD PRO 43 -32.348 1.740 -26.519 1.00 1.12 ATOM 674 HD1 PRO 43 -31.858 2.704 -26.554 1.00 37.11 ATOM 675 HD2 PRO 43 -32.311 1.266 -27.488 1.00 24.52 ATOM 676 C PRO 43 -33.281 -1.114 -25.320 1.00 61.21 ATOM 677 O PRO 43 -34.433 -1.501 -25.115 1.00 12.23 ATOM 678 N ARG 44 -32.420 -1.812 -26.061 1.00 72.23 ATOM 679 HN ARG 44 -31.507 -1.477 -26.180 1.00 37.11 ATOM 680 CA ARG 44 -32.812 -3.081 -26.689 1.00 2.13 ATOM 681 HA ARG 44 -33.758 -2.921 -27.191 1.00 22.21 ATOM 682 CB ARG 44 -31.769 -3.525 -27.727 1.00 4.44 ATOM 683 HB1 ARG 44 -32.154 -4.384 -28.258 1.00 37.11 ATOM 684 HB2 ARG 44 -30.865 -3.813 -27.209 1.00 50.24 ATOM 685 CG ARG 44 -31.405 -2.453 -28.754 1.00 60.51 ATOM 686 HG1 ARG 44 -30.840 -2.914 -29.553 1.00 37.11 ATOM 687 HG2 ARG 44 -30.796 -1.702 -28.272 1.00 54.13 ATOM 688 CD ARG 44 -32.638 -1.774 -29.347 1.00 2.22 ATOM 689 HD1 ARG 44 -32.316 -1.101 -30.130 1.00 37.11 ATOM 690 HD2 ARG 44 -33.129 -1.205 -28.570 1.00 63.53 ATOM 691 NE ARG 44 -33.594 -2.726 -29.909 1.00 2.02 ATOM 692 HE ARG 44 -33.342 -3.671 -29.929 1.00 61.21 ATOM 693 CZ ARG 44 -34.768 -2.390 -30.371 1.00 32.22 ATOM 694 NH1 ARG 44 -35.138 -1.151 -30.399 1.00 4.34 ATOM 695 HH11 ARG 44 -34.526 -0.437 -30.068 1.00 74.22 ATOM 696 HH12 ARG 44 -36.045 -0.912 -30.748 1.00 2.21 ATOM 697 NH2 ARG 44 -35.571 -3.297 -30.817 1.00 31.15 ATOM 698 HH21 ARG 44 -35.296 -4.258 -30.803 1.00 34.31 ATOM 699 HH22 ARG 44 -36.464 -3.033 -31.175 1.00 13.42 ATOM 700 C ARG 44 -33.001 -4.182 -25.634 1.00 44.14 ATOM 701 O ARG 44 -33.691 -5.176 -25.870 1.00 43.44 ATOM 702 N ALA 45 -32.369 -3.997 -24.477 1.00 34.21 ATOM 703 HN ALA 45 -31.792 -3.211 -24.375 1.00 37.11 ATOM 704 CA ALA 45 -32.494 -4.927 -23.352 1.00 63.22 ATOM 705 HA ALA 45 -33.499 -5.328 -23.354 1.00 51.34 ATOM 706 CB ALA 45 -31.511 -6.084 -23.516 1.00 12.35 ATOM 707 HB1 ALA 45 -30.500 -5.700 -23.506 1.00 53.05 ATOM 708 HB2 ALA 45 -31.695 -6.584 -24.456 1.00 35.31 ATOM 709 HB3 ALA 45 -31.637 -6.785 -22.704 1.00 74.44 ATOM 710 C ALA 45 -32.243 -4.210 -22.019 1.00 55.24 ATOM 711 O ALA 45 -31.744 -3.082 -21.997 1.00 72.11 ATOM 712 N ASP 46 -32.590 -4.862 -20.912 1.00 51.04 ATOM 713 HN ASP 46 -33.072 -5.713 -20.990 1.00 37.11 ATOM 714 CA ASP 46 -32.285 -4.335 -19.580 1.00 52.24 ATOM 715 HA ASP 46 -32.629 -3.310 -19.545 1.00 13.43 ATOM 716 CB ASP 46 -33.030 -5.146 -18.510 1.00 32.15 ATOM 717 HB1 ASP 46 -32.658 -4.872 -17.532 1.00 37.11 ATOM 718 HB2 ASP 46 -32.848 -6.197 -18.676 1.00 13.04 ATOM 719 CG ASP 46 -34.532 -4.909 -18.545 1.00 53.05 ATOM 720 OD1 ASP 46 -35.088 -4.420 -17.537 1.00 12.53 ATOM 721 OD2 ASP 46 -35.162 -5.183 -19.591 1.00 21.41 ATOM 722 C ASP 46 -30.765 -4.347 -19.324 1.00 72.31 ATOM 723 O ASP 46 -30.242 -5.202 -18.607 1.00 1.43 ATOM 724 N ALA 47 -30.068 -3.391 -19.936 1.00 63.53 ATOM 725 HN ALA 47 -30.559 -2.703 -20.436 1.00 37.11 ATOM 726 CA ALA 47 -28.602 -3.325 -19.898 1.00 51.52 ATOM 727 HA ALA 47 -28.222 -4.198 -20.409 1.00 45.15 ATOM 728 CB ALA 47 -28.118 -2.095 -20.658 1.00 43.32 ATOM 729 HB1 ALA 47 -28.436 -1.201 -20.140 1.00 11.14 ATOM 730 HB2 ALA 47 -28.535 -2.098 -21.654 1.00 53.13 ATOM 731 HB3 ALA 47 -27.039 -2.110 -20.720 1.00 63.41 ATOM 732 C ALA 47 -28.048 -3.317 -18.467 1.00 62.02 ATOM 733 O ALA 47 -27.175 -4.117 -18.127 1.00 71.30 ATOM 734 N TRP 48 -28.559 -2.415 -17.634 1.00 40.13 ATOM 735 HN TRP 48 -29.267 -1.817 -17.959 1.00 37.11 ATOM 736 CA TRP 48 -28.096 -2.286 -16.249 1.00 22.20 ATOM 737 HA TRP 48 -27.037 -2.067 -16.277 1.00 20.34 ATOM 738 CB TRP 48 -28.828 -1.121 -15.568 1.00 32.21 ATOM 739 HB1 TRP 48 -29.877 -1.370 -15.477 1.00 37.11 ATOM 740 HB2 TRP 48 -28.728 -0.237 -16.181 1.00 60.41 ATOM 741 CG TRP 48 -28.307 -0.794 -14.200 1.00 4.11 ATOM 742 CD1 TRP 48 -27.229 -0.011 -13.899 1.00 1.34 ATOM 743 HD1 TRP 48 -26.606 0.477 -14.635 1.00 53.12 ATOM 744 CD2 TRP 48 -28.839 -1.243 -12.947 1.00 22.55 ATOM 745 NE1 TRP 48 -27.062 0.057 -12.539 1.00 65.02 ATOM 746 HE1 TRP 48 -26.361 0.561 -12.077 1.00 12.33 ATOM 747 CE2 TRP 48 -28.035 -0.693 -11.933 1.00 5.01 ATOM 748 CE3 TRP 48 -29.917 -2.055 -12.587 1.00 62.34 ATOM 749 HE3 TRP 48 -30.559 -2.494 -13.335 1.00 55.25 ATOM 750 CZ2 TRP 48 -28.276 -0.929 -10.582 1.00 22.43 ATOM 751 HZ2 TRP 48 -27.653 -0.503 -9.806 1.00 34.35 ATOM 752 CZ3 TRP 48 -30.154 -2.289 -11.247 1.00 73.30 ATOM 753 HZ3 TRP 48 -30.982 -2.915 -10.949 1.00 2.13 ATOM 754 CH2 TRP 48 -29.336 -1.729 -10.259 1.00 72.13 ATOM 755 HH2 TRP 48 -29.558 -1.939 -9.224 1.00 41.13 ATOM 756 C TRP 48 -28.311 -3.592 -15.460 1.00 1.15 ATOM 757 O TRP 48 -27.439 -4.028 -14.702 1.00 65.42 ATOM 758 N GLN 49 -29.475 -4.213 -15.649 1.00 2.33 ATOM 759 HN GLN 49 -30.144 -3.804 -16.239 1.00 37.11 ATOM 760 CA GLN 49 -29.785 -5.489 -14.996 1.00 64.42 ATOM 761 HA GLN 49 -29.677 -5.347 -13.928 1.00 43.31 ATOM 762 CB GLN 49 -31.235 -5.898 -15.299 1.00 22.23 ATOM 763 HB1 GLN 49 -31.354 -5.989 -16.370 1.00 37.11 ATOM 764 HB2 GLN 49 -31.896 -5.121 -14.941 1.00 60.52 ATOM 765 CG GLN 49 -31.656 -7.218 -14.657 1.00 42.25 ATOM 766 HG1 GLN 49 -30.981 -7.994 -14.992 1.00 37.11 ATOM 767 HG2 GLN 49 -32.658 -7.455 -14.981 1.00 24.23 ATOM 768 CD GLN 49 -31.642 -7.187 -13.136 1.00 54.44 ATOM 769 OE1 GLN 49 -31.356 -8.187 -12.487 1.00 34.42 ATOM 770 NE2 GLN 49 -31.974 -6.053 -12.550 1.00 14.53 ATOM 771 HE21 GLN 49 -32.213 -5.290 -13.113 1.00 41.01 ATOM 772 HE22 GLN 49 -31.971 -6.024 -11.569 1.00 71.33 ATOM 773 C GLN 49 -28.814 -6.593 -15.450 1.00 32.14 ATOM 774 O GLN 49 -28.289 -7.349 -14.631 1.00 22.33 ATOM 775 N GLN 50 -28.571 -6.673 -16.757 1.00 25.24 ATOM 776 HN GLN 50 -29.038 -6.061 -17.365 1.00 37.11 ATOM 777 CA GLN 50 -27.629 -7.654 -17.312 1.00 23.23 ATOM 778 HA GLN 50 -27.939 -8.634 -16.974 1.00 51.12 ATOM 779 CB GLN 50 -27.667 -7.625 -18.847 1.00 53.12 ATOM 780 HB1 GLN 50 -26.932 -8.323 -19.226 1.00 37.11 ATOM 781 HB2 GLN 50 -27.409 -6.630 -19.183 1.00 23.51 ATOM 782 CG GLN 50 -29.026 -7.994 -19.440 1.00 63.22 ATOM 783 HG1 GLN 50 -29.766 -7.297 -19.070 1.00 37.11 ATOM 784 HG2 GLN 50 -29.284 -8.992 -19.114 1.00 43.45 ATOM 785 CD GLN 50 -29.050 -7.964 -20.962 1.00 4.54 ATOM 786 OE1 GLN 50 -29.780 -8.715 -21.598 1.00 64.33 ATOM 787 NE2 GLN 50 -28.264 -7.091 -21.562 1.00 65.34 ATOM 788 HE21 GLN 50 -27.711 -6.507 -21.009 1.00 12.31 ATOM 789 HE22 GLN 50 -28.266 -7.074 -22.538 1.00 3.22 ATOM 790 C GLN 50 -26.196 -7.394 -16.818 1.00 3.15 ATOM 791 O GLN 50 -25.418 -8.329 -16.614 1.00 62.52 ATOM 792 N LEU 51 -25.857 -6.120 -16.628 1.00 2.21 ATOM 793 HN LEU 51 -26.510 -5.419 -16.837 1.00 37.11 ATOM 794 CA LEU 51 -24.535 -5.735 -16.127 1.00 53.40 ATOM 795 HA LEU 51 -23.796 -6.220 -16.752 1.00 72.13 ATOM 796 CB LEU 51 -24.347 -4.213 -16.232 1.00 31.24 ATOM 797 HB1 LEU 51 -25.111 -3.735 -15.636 1.00 37.11 ATOM 798 HB2 LEU 51 -24.491 -3.926 -17.265 1.00 31.32 ATOM 799 CG LEU 51 -22.977 -3.684 -15.770 1.00 31.45 ATOM 800 HG LEU 51 -22.833 -3.944 -14.730 1.00 24.44 ATOM 801 CD1 LEU 51 -21.845 -4.327 -16.570 1.00 33.14 ATOM 802 HD11 LEU 51 -21.978 -4.118 -17.622 1.00 12.21 ATOM 803 HD12 LEU 51 -21.854 -5.395 -16.411 1.00 44.43 ATOM 804 HD13 LEU 51 -20.898 -3.925 -16.240 1.00 24.54 ATOM 805 CD2 LEU 51 -22.921 -2.162 -15.886 1.00 31.53 ATOM 806 HD21 LEU 51 -23.718 -1.727 -15.301 1.00 15.33 ATOM 807 HD22 LEU 51 -23.034 -1.870 -16.921 1.00 15.32 ATOM 808 HD23 LEU 51 -21.970 -1.806 -15.515 1.00 11.20 ATOM 809 C LEU 51 -24.329 -6.200 -14.674 1.00 64.14 ATOM 810 O LEU 51 -23.338 -6.866 -14.360 1.00 42.55 ATOM 811 N LYS 52 -25.267 -5.855 -13.787 1.00 53.23 ATOM 812 HN LYS 52 -26.033 -5.315 -14.083 1.00 37.11 ATOM 813 CA LYS 52 -25.169 -6.261 -12.380 1.00 62.11 ATOM 814 HA LYS 52 -24.215 -5.910 -12.011 1.00 12.45 ATOM 815 CB LYS 52 -26.287 -5.627 -11.532 1.00 32.21 ATOM 816 HB1 LYS 52 -26.294 -4.561 -11.715 1.00 37.11 ATOM 817 HB2 LYS 52 -26.066 -5.797 -10.487 1.00 3.31 ATOM 818 CG LYS 52 -27.687 -6.168 -11.815 1.00 13.34 ATOM 819 HG1 LYS 52 -27.703 -7.228 -11.601 1.00 37.11 ATOM 820 HG2 LYS 52 -27.917 -6.010 -12.859 1.00 51.45 ATOM 821 CD LYS 52 -28.750 -5.473 -10.966 1.00 21.50 ATOM 822 HD1 LYS 52 -29.721 -5.865 -11.237 1.00 37.11 ATOM 823 HD2 LYS 52 -28.723 -4.413 -11.173 1.00 34.32 ATOM 824 CE LYS 52 -28.534 -5.686 -9.470 1.00 14.30 ATOM 825 HE1 LYS 52 -29.251 -5.084 -8.928 1.00 37.11 ATOM 826 HE2 LYS 52 -27.535 -5.365 -9.212 1.00 51.22 ATOM 827 NZ LYS 52 -28.702 -7.112 -9.072 1.00 43.11 ATOM 828 HZ1 LYS 52 -29.676 -7.425 -9.264 1.00 3.01 ATOM 829 HZ2 LYS 52 -28.509 -7.227 -8.056 1.00 63.41 ATOM 830 HZ3 LYS 52 -28.046 -7.716 -9.607 1.00 20.34 ATOM 831 C LYS 52 -25.201 -7.792 -12.246 1.00 62.23 ATOM 832 O LYS 52 -24.551 -8.354 -11.374 1.00 23.43 ATOM 833 N ASP 53 -25.953 -8.454 -13.128 1.00 35.00 ATOM 834 HN ASP 53 -26.494 -7.943 -13.767 1.00 37.11 ATOM 835 CA ASP 53 -26.007 -9.922 -13.166 1.00 72.05 ATOM 836 HA ASP 53 -26.437 -10.259 -12.235 1.00 45.01 ATOM 837 CB ASP 53 -26.913 -10.364 -14.321 1.00 32.30 ATOM 838 HB1 ASP 53 -26.563 -9.911 -15.237 1.00 37.11 ATOM 839 HB2 ASP 53 -27.922 -10.029 -14.125 1.00 71.13 ATOM 840 CG ASP 53 -26.938 -11.869 -14.503 1.00 10.44 ATOM 841 OD1 ASP 53 -27.509 -12.568 -13.641 1.00 2.13 ATOM 842 OD2 ASP 53 -26.393 -12.361 -15.516 1.00 31.14 ATOM 843 C ASP 53 -24.598 -10.533 -13.312 1.00 1.01 ATOM 844 O ASP 53 -24.246 -11.496 -12.625 1.00 74.13 ATOM 845 N GLU 54 -23.800 -9.964 -14.213 1.00 53.00 ATOM 846 HN GLU 54 -24.167 -9.263 -14.794 1.00 37.11 ATOM 847 CA GLU 54 -22.392 -10.355 -14.372 1.00 43.31 ATOM 848 HA GLU 54 -22.358 -11.411 -14.600 1.00 13.01 ATOM 849 CB GLU 54 -21.763 -9.567 -15.533 1.00 74.04 ATOM 850 HB1 GLU 54 -20.686 -9.671 -15.480 1.00 37.11 ATOM 851 HB2 GLU 54 -22.016 -8.522 -15.419 1.00 13.20 ATOM 852 CG GLU 54 -22.218 -10.017 -16.916 1.00 33.13 ATOM 853 HG1 GLU 54 -21.945 -9.258 -17.637 1.00 37.11 ATOM 854 HG2 GLU 54 -23.293 -10.132 -16.908 1.00 23.55 ATOM 855 CD GLU 54 -21.586 -11.334 -17.331 1.00 61.12 ATOM 856 OE1 GLU 54 -22.214 -12.396 -17.139 1.00 4.30 ATOM 857 OE2 GLU 54 -20.447 -11.314 -17.842 1.00 11.24 ATOM 858 C GLU 54 -21.595 -10.091 -13.087 1.00 60.44 ATOM 859 O GLU 54 -20.928 -10.979 -12.552 1.00 24.24 ATOM 860 N LEU 55 -21.688 -8.860 -12.599 1.00 12.03 ATOM 861 HN LEU 55 -22.279 -8.219 -13.050 1.00 37.11 ATOM 862 CA LEU 55 -20.944 -8.423 -11.413 1.00 21.10 ATOM 863 HA LEU 55 -19.894 -8.595 -11.604 1.00 21.13 ATOM 864 CB LEU 55 -21.166 -6.919 -11.212 1.00 72.53 ATOM 865 HB1 LEU 55 -20.609 -6.606 -10.341 1.00 37.11 ATOM 866 HB2 LEU 55 -22.219 -6.754 -11.025 1.00 1.34 ATOM 867 CG LEU 55 -20.739 -6.037 -12.402 1.00 53.33 ATOM 868 HG LEU 55 -21.282 -6.353 -13.284 1.00 2.41 ATOM 869 CD1 LEU 55 -21.081 -4.571 -12.152 1.00 71.11 ATOM 870 HD11 LEU 55 -22.145 -4.472 -11.990 1.00 5.44 ATOM 871 HD12 LEU 55 -20.792 -3.982 -13.010 1.00 61.33 ATOM 872 HD13 LEU 55 -20.549 -4.219 -11.280 1.00 4.34 ATOM 873 CD2 LEU 55 -19.247 -6.203 -12.686 1.00 71.44 ATOM 874 HD21 LEU 55 -18.679 -5.925 -11.810 1.00 35.21 ATOM 875 HD22 LEU 55 -18.965 -5.571 -13.514 1.00 13.22 ATOM 876 HD23 LEU 55 -19.041 -7.234 -12.937 1.00 1.43 ATOM 877 C LEU 55 -21.345 -9.208 -10.148 1.00 41.34 ATOM 878 O LEU 55 -20.552 -9.339 -9.213 1.00 32.23 ATOM 879 N GLU 56 -22.578 -9.709 -10.120 1.00 23.44 ATOM 880 HN GLU 56 -23.186 -9.507 -10.862 1.00 37.11 ATOM 881 CA GLU 56 -23.060 -10.551 -9.016 1.00 71.41 ATOM 882 HA GLU 56 -22.713 -10.112 -8.090 1.00 11.35 ATOM 883 CB GLU 56 -24.597 -10.584 -9.004 1.00 4.24 ATOM 884 HB1 GLU 56 -24.921 -11.377 -8.346 1.00 37.11 ATOM 885 HB2 GLU 56 -24.946 -10.800 -10.004 1.00 64.31 ATOM 886 CG GLU 56 -25.259 -9.284 -8.541 1.00 42.01 ATOM 887 HG1 GLU 56 -26.322 -9.353 -8.723 1.00 37.11 ATOM 888 HG2 GLU 56 -24.853 -8.463 -9.117 1.00 65.51 ATOM 889 CD GLU 56 -25.038 -8.998 -7.061 1.00 44.24 ATOM 890 OE1 GLU 56 -24.787 -7.825 -6.705 1.00 5.24 ATOM 891 OE2 GLU 56 -25.126 -9.948 -6.252 1.00 45.23 ATOM 892 C GLU 56 -22.513 -11.988 -9.120 1.00 61.34 ATOM 893 O GLU 56 -22.116 -12.588 -8.118 1.00 0.15 ATOM 894 N ALA 57 -22.516 -12.541 -10.334 1.00 32.44 ATOM 895 HN ALA 57 -22.858 -12.020 -11.093 1.00 37.11 ATOM 896 CA ALA 57 -22.040 -13.911 -10.570 1.00 2.21 ATOM 897 HA ALA 57 -22.575 -14.567 -9.896 1.00 21.21 ATOM 898 CB ALA 57 -22.368 -14.337 -11.995 1.00 31.41 ATOM 899 HB1 ALA 57 -23.428 -14.226 -12.167 1.00 60.21 ATOM 900 HB2 ALA 57 -22.088 -15.371 -12.140 1.00 62.05 ATOM 901 HB3 ALA 57 -21.824 -13.716 -12.693 1.00 72.31 ATOM 902 C ALA 57 -20.531 -14.054 -10.305 1.00 41.22 ATOM 903 O ALA 57 -20.082 -15.028 -9.695 1.00 32.30 ATOM 904 N LYS 58 -19.755 -13.081 -10.775 1.00 63.10 ATOM 905 HN LYS 58 -20.170 -12.339 -11.267 1.00 37.11 ATOM 906 CA LYS 58 -18.303 -13.082 -10.575 1.00 70.32 ATOM 907 HA LYS 58 -17.933 -14.066 -10.830 1.00 73.55 ATOM 908 CB LYS 58 -17.652 -12.047 -11.502 1.00 62.35 ATOM 909 HB1 LYS 58 -16.577 -12.148 -11.439 1.00 37.11 ATOM 910 HB2 LYS 58 -17.931 -11.057 -11.168 1.00 74.24 ATOM 911 CG LYS 58 -18.064 -12.192 -12.966 1.00 25.44 ATOM 912 HG1 LYS 58 -19.142 -12.136 -13.031 1.00 37.11 ATOM 913 HG2 LYS 58 -17.732 -13.155 -13.331 1.00 13.42 ATOM 914 CD LYS 58 -17.457 -11.099 -13.840 1.00 32.15 ATOM 915 HD1 LYS 58 -16.381 -11.222 -13.863 1.00 37.11 ATOM 916 HD2 LYS 58 -17.698 -10.136 -13.412 1.00 71.31 ATOM 917 CE LYS 58 -17.995 -11.147 -15.269 1.00 61.13 ATOM 918 HE1 LYS 58 -17.463 -10.418 -15.866 1.00 37.11 ATOM 919 HE2 LYS 58 -19.046 -10.896 -15.254 1.00 52.34 ATOM 920 NZ LYS 58 -17.831 -12.489 -15.888 1.00 31.22 ATOM 921 HZ1 LYS 58 -18.141 -12.463 -16.879 1.00 4.32 ATOM 922 HZ2 LYS 58 -18.406 -13.193 -15.378 1.00 4.42 ATOM 923 HZ3 LYS 58 -16.833 -12.781 -15.856 1.00 43.11 ATOM 924 C LYS 58 -17.963 -12.789 -9.100 1.00 52.14 ATOM 925 O LYS 58 -17.930 -11.636 -8.670 1.00 53.40 ATOM 926 N HIS 59 -17.700 -13.847 -8.334 1.00 13.30 ATOM 927 HN HIS 59 -17.561 -14.718 -8.765 1.00 37.11 ATOM 928 CA HIS 59 -17.603 -13.753 -6.870 1.00 43.41 ATOM 929 HA HIS 59 -18.456 -13.182 -6.528 1.00 61.43 ATOM 930 CB HIS 59 -17.683 -15.153 -6.250 1.00 32.53 ATOM 931 HB1 HIS 59 -17.690 -15.066 -5.173 1.00 37.11 ATOM 932 HB2 HIS 59 -16.818 -15.725 -6.554 1.00 13.45 ATOM 933 CG HIS 59 -18.906 -15.914 -6.658 1.00 62.40 ATOM 934 ND1 HIS 59 -18.864 -17.199 -7.155 1.00 65.31 ATOM 935 HD1 HIS 59 -18.054 -17.738 -7.289 1.00 30.23 ATOM 936 CD2 HIS 59 -20.215 -15.568 -6.637 1.00 4.34 ATOM 937 HD2 HIS 59 -20.625 -14.630 -6.294 1.00 63.35 ATOM 938 CE1 HIS 59 -20.086 -17.608 -7.423 1.00 43.40 ATOM 939 HE1 HIS 59 -20.356 -18.579 -7.816 1.00 24.24 ATOM 940 NE2 HIS 59 -20.923 -16.639 -7.120 1.00 74.30 ATOM 941 HE2 HIS 59 -21.901 -16.723 -7.117 1.00 37.11 ATOM 942 C HIS 59 -16.327 -13.041 -6.387 1.00 23.11 ATOM 943 O HIS 59 -16.255 -12.611 -5.237 1.00 40.13 ATOM 944 N TRP 60 -15.320 -12.920 -7.247 1.00 30.44 ATOM 945 HN TRP 60 -15.412 -13.291 -8.150 1.00 37.11 ATOM 946 CA TRP 60 -14.069 -12.250 -6.862 1.00 64.23 ATOM 947 HA TRP 60 -13.866 -12.524 -5.835 1.00 15.31 ATOM 948 CB TRP 60 -12.897 -12.743 -7.730 1.00 5.03 ATOM 949 HB1 TRP 60 -12.795 -13.812 -7.601 1.00 37.11 ATOM 950 HB2 TRP 60 -11.986 -12.265 -7.396 1.00 42.21 ATOM 951 CG TRP 60 -13.046 -12.468 -9.202 1.00 62.11 ATOM 952 CD1 TRP 60 -13.826 -13.151 -10.091 1.00 41.24 ATOM 953 HD1 TRP 60 -14.455 -13.988 -9.829 1.00 63.31 ATOM 954 CD2 TRP 60 -12.376 -11.451 -9.959 1.00 22.01 ATOM 955 NE1 TRP 60 -13.693 -12.613 -11.345 1.00 61.31 ATOM 956 HE1 TRP 60 -14.156 -12.927 -12.152 1.00 12.14 ATOM 957 CE2 TRP 60 -12.810 -11.569 -11.292 1.00 23.34 ATOM 958 CE3 TRP 60 -11.461 -10.445 -9.636 1.00 63.50 ATOM 959 HE3 TRP 60 -11.103 -10.320 -8.625 1.00 53.54 ATOM 960 CZ2 TRP 60 -12.356 -10.726 -12.301 1.00 33.31 ATOM 961 HZ2 TRP 60 -12.696 -10.824 -13.323 1.00 63.51 ATOM 962 CZ3 TRP 60 -11.010 -9.609 -10.639 1.00 13.32 ATOM 963 HZ3 TRP 60 -10.303 -8.826 -10.407 1.00 44.45 ATOM 964 CH2 TRP 60 -11.462 -9.750 -11.957 1.00 2.14 ATOM 965 HH2 TRP 60 -11.083 -9.073 -12.709 1.00 44.41 ATOM 966 C TRP 60 -14.197 -10.714 -6.922 1.00 60.14 ATOM 967 O TRP 60 -13.274 -9.990 -6.544 1.00 23.34 ATOM 968 N ILE 61 -15.353 -10.228 -7.379 1.00 61.24 ATOM 969 HN ILE 61 -16.044 -10.856 -7.682 1.00 37.11 ATOM 970 CA ILE 61 -15.636 -8.785 -7.432 1.00 1.23 ATOM 971 HA ILE 61 -14.727 -8.280 -7.733 1.00 63.33 ATOM 972 CB ILE 61 -16.745 -8.462 -8.487 1.00 15.15 ATOM 973 HB ILE 61 -17.505 -9.227 -8.411 1.00 24.31 ATOM 974 CG1 ILE 61 -16.176 -8.472 -9.919 1.00 52.41 ATOM 975 HG11 ILE 61 -15.453 -7.675 -10.015 1.00 37.11 ATOM 976 HG12 ILE 61 -16.979 -8.302 -10.621 1.00 62.04 ATOM 977 CG2 ILE 61 -17.413 -7.117 -8.201 1.00 25.23 ATOM 978 HG21 ILE 61 -16.667 -6.336 -8.197 1.00 75.34 ATOM 979 HG22 ILE 61 -17.903 -7.152 -7.238 1.00 31.43 ATOM 980 HG23 ILE 61 -18.146 -6.910 -8.968 1.00 31.22 ATOM 981 CD1 ILE 61 -15.494 -9.761 -10.313 1.00 44.44 ATOM 982 HD11 ILE 61 -14.617 -9.907 -9.698 1.00 31.55 ATOM 983 HD12 ILE 61 -15.200 -9.712 -11.351 1.00 51.42 ATOM 984 HD13 ILE 61 -16.173 -10.587 -10.168 1.00 23.11 ATOM 985 C ILE 61 -16.065 -8.248 -6.052 1.00 14.34 ATOM 986 O ILE 61 -16.772 -8.922 -5.301 1.00 62.20 ATOM 987 N ALA 62 -15.628 -7.033 -5.722 1.00 13.12 ATOM 988 HN ALA 62 -15.022 -6.566 -6.332 1.00 37.11 ATOM 989 CA ALA 62 -16.024 -6.378 -4.468 1.00 62.33 ATOM 990 HA ALA 62 -16.138 -7.144 -3.711 1.00 23.44 ATOM 991 CB ALA 62 -14.927 -5.421 -4.012 1.00 4.42 ATOM 992 HB1 ALA 62 -15.190 -5.000 -3.052 1.00 54.24 ATOM 993 HB2 ALA 62 -14.817 -4.625 -4.735 1.00 73.12 ATOM 994 HB3 ALA 62 -13.993 -5.958 -3.925 1.00 61.33 ATOM 995 C ALA 62 -17.359 -5.629 -4.626 1.00 23.23 ATOM 996 O ALA 62 -17.625 -5.034 -5.675 1.00 52.21 ATOM 997 N GLU 63 -18.187 -5.648 -3.580 1.00 33.21 ATOM 998 HN GLU 63 -17.898 -6.090 -2.752 1.00 37.11 ATOM 999 CA GLU 63 -19.515 -5.019 -3.627 1.00 63.44 ATOM 1000 HA GLU 63 -20.096 -5.544 -4.372 1.00 24.14 ATOM 1001 CB GLU 63 -20.219 -5.156 -2.269 1.00 52.44 ATOM 1002 HB1 GLU 63 -19.605 -4.689 -1.511 1.00 37.11 ATOM 1003 HB2 GLU 63 -20.322 -6.207 -2.036 1.00 63.44 ATOM 1004 CG GLU 63 -21.605 -4.518 -2.224 1.00 5.31 ATOM 1005 HG1 GLU 63 -22.241 -5.015 -2.945 1.00 37.11 ATOM 1006 HG2 GLU 63 -21.516 -3.472 -2.488 1.00 34.32 ATOM 1007 CD GLU 63 -22.250 -4.617 -0.851 1.00 12.21 ATOM 1008 OE1 GLU 63 -23.115 -5.495 -0.651 1.00 12.12 ATOM 1009 OE2 GLU 63 -21.882 -3.824 0.041 1.00 11.31 ATOM 1010 C GLU 63 -19.434 -3.535 -4.023 1.00 22.43 ATOM 1011 O GLU 63 -19.994 -3.127 -5.041 1.00 2.43 ATOM 1012 N ALA 64 -18.727 -2.738 -3.221 1.00 34.13 ATOM 1013 HN ALA 64 -18.281 -3.130 -2.441 1.00 37.11 ATOM 1014 CA ALA 64 -18.599 -1.292 -3.469 1.00 13.22 ATOM 1015 HA ALA 64 -19.577 -0.850 -3.334 1.00 61.23 ATOM 1016 CB ALA 64 -17.657 -0.662 -2.447 1.00 34.03 ATOM 1017 HB1 ALA 64 -18.015 -0.870 -1.450 1.00 4.35 ATOM 1018 HB2 ALA 64 -17.621 0.408 -2.599 1.00 0.40 ATOM 1019 HB3 ALA 64 -16.665 -1.073 -2.567 1.00 74.34 ATOM 1020 C ALA 64 -18.116 -0.991 -4.898 1.00 61.32 ATOM 1021 O ALA 64 -18.614 -0.074 -5.552 1.00 30.24 ATOM 1022 N ASP 65 -17.156 -1.779 -5.378 1.00 32.23 ATOM 1023 HN ASP 65 -16.795 -2.488 -4.805 1.00 37.11 ATOM 1024 CA ASP 65 -16.612 -1.612 -6.730 1.00 24.11 ATOM 1025 HA ASP 65 -16.216 -0.609 -6.798 1.00 55.04 ATOM 1026 CB ASP 65 -15.470 -2.604 -6.961 1.00 64.32 ATOM 1027 HB1 ASP 65 -15.209 -2.606 -8.011 1.00 37.11 ATOM 1028 HB2 ASP 65 -15.793 -3.594 -6.671 1.00 54.54 ATOM 1029 CG ASP 65 -14.236 -2.249 -6.155 1.00 23.05 ATOM 1030 OD1 ASP 65 -14.289 -2.332 -4.908 1.00 53.11 ATOM 1031 OD2 ASP 65 -13.205 -1.885 -6.761 1.00 64.12 ATOM 1032 C ASP 65 -17.687 -1.784 -7.817 1.00 44.13 ATOM 1033 O ASP 65 -17.807 -0.948 -8.718 1.00 41.33 ATOM 1034 N ARG 66 -18.466 -2.865 -7.741 1.00 63.44 ATOM 1035 HN ARG 66 -18.338 -3.502 -7.003 1.00 37.11 ATOM 1036 CA ARG 66 -19.506 -3.112 -8.745 1.00 24.32 ATOM 1037 HA ARG 66 -19.053 -2.928 -9.711 1.00 73.53 ATOM 1038 CB ARG 66 -19.991 -4.573 -8.717 1.00 62.23 ATOM 1039 HB1 ARG 66 -19.143 -5.216 -8.917 1.00 37.11 ATOM 1040 HB2 ARG 66 -20.715 -4.709 -9.508 1.00 53.14 ATOM 1041 CG ARG 66 -20.634 -5.032 -7.412 1.00 72.30 ATOM 1042 HG1 ARG 66 -21.507 -4.426 -7.215 1.00 37.11 ATOM 1043 HG2 ARG 66 -19.922 -4.915 -6.607 1.00 33.43 ATOM 1044 CD ARG 66 -21.054 -6.497 -7.494 1.00 73.40 ATOM 1045 HD1 ARG 66 -20.190 -7.092 -7.765 1.00 37.11 ATOM 1046 HD2 ARG 66 -21.809 -6.598 -8.261 1.00 14.32 ATOM 1047 NE ARG 66 -21.599 -6.998 -6.239 1.00 3.44 ATOM 1048 HE ARG 66 -22.047 -6.358 -5.649 1.00 64.22 ATOM 1049 CZ ARG 66 -21.548 -8.246 -5.863 1.00 13.43 ATOM 1050 NH1 ARG 66 -20.985 -9.141 -6.611 1.00 43.11 ATOM 1051 HH11 ARG 66 -20.590 -8.884 -7.490 1.00 51.43 ATOM 1052 HH12 ARG 66 -20.949 -10.091 -6.307 1.00 61.04 ATOM 1053 NH2 ARG 66 -22.078 -8.598 -4.741 1.00 42.34 ATOM 1054 HH21 ARG 66 -22.528 -7.914 -4.170 1.00 71.34 ATOM 1055 HH22 ARG 66 -22.048 -9.550 -4.454 1.00 30.33 ATOM 1056 C ARG 66 -20.681 -2.134 -8.590 1.00 52.44 ATOM 1057 O ARG 66 -21.272 -1.708 -9.578 1.00 45.23 ATOM 1058 N ILE 67 -21.000 -1.760 -7.353 1.00 15.11 ATOM 1059 HN ILE 67 -20.539 -2.175 -6.593 1.00 37.11 ATOM 1060 CA ILE 67 -22.027 -0.743 -7.100 1.00 61.34 ATOM 1061 HA ILE 67 -22.944 -1.074 -7.569 1.00 12.25 ATOM 1062 CB ILE 67 -22.294 -0.565 -5.581 1.00 32.43 ATOM 1063 HB ILE 67 -21.356 -0.319 -5.102 1.00 31.24 ATOM 1064 CG1 ILE 67 -22.835 -1.873 -4.972 1.00 13.44 ATOM 1065 HG11 ILE 67 -22.992 -1.733 -3.912 1.00 37.11 ATOM 1066 HG12 ILE 67 -22.106 -2.656 -5.118 1.00 54.50 ATOM 1067 CG2 ILE 67 -23.264 0.590 -5.331 1.00 31.21 ATOM 1068 HG21 ILE 67 -24.198 0.392 -5.838 1.00 14.33 ATOM 1069 HG22 ILE 67 -22.839 1.509 -5.711 1.00 41.43 ATOM 1070 HG23 ILE 67 -23.445 0.691 -4.270 1.00 50.23 ATOM 1071 CD1 ILE 67 -24.144 -2.345 -5.578 1.00 15.12 ATOM 1072 HD11 ILE 67 -24.458 -3.253 -5.085 1.00 15.34 ATOM 1073 HD12 ILE 67 -24.007 -2.538 -6.631 1.00 42.02 ATOM 1074 HD13 ILE 67 -24.900 -1.585 -5.445 1.00 70.04 ATOM 1075 C ILE 67 -21.619 0.607 -7.715 1.00 73.33 ATOM 1076 O ILE 67 -22.436 1.294 -8.331 1.00 3.32 ATOM 1077 N ASN 68 -20.343 0.965 -7.555 1.00 64.11 ATOM 1078 HN ASN 68 -19.755 0.394 -7.017 1.00 37.11 ATOM 1079 CA ASN 68 -19.792 2.193 -8.145 1.00 1.34 ATOM 1080 HA ASN 68 -20.272 3.036 -7.666 1.00 23.00 ATOM 1081 CB ASN 68 -18.279 2.273 -7.896 1.00 31.33 ATOM 1082 HB1 ASN 68 -17.804 1.394 -8.311 1.00 37.11 ATOM 1083 HB2 ASN 68 -18.096 2.305 -6.831 1.00 11.40 ATOM 1084 CG ASN 68 -17.653 3.506 -8.528 1.00 62.31 ATOM 1085 OD1 ASN 68 -18.241 4.584 -8.529 1.00 52.22 ATOM 1086 ND2 ASN 68 -16.472 3.355 -9.094 1.00 44.00 ATOM 1087 HD21 ASN 68 -16.059 2.470 -9.075 1.00 25.24 ATOM 1088 HD22 ASN 68 -16.066 4.134 -9.526 1.00 41.32 ATOM 1089 C ASN 68 -20.060 2.262 -9.658 1.00 65.21 ATOM 1090 O ASN 68 -20.712 3.191 -10.148 1.00 5.14 ATOM 1091 N VAL 69 -19.559 1.268 -10.393 1.00 2.55 ATOM 1092 HN VAL 69 -19.074 0.540 -9.945 1.00 37.11 ATOM 1093 CA VAL 69 -19.710 1.238 -11.851 1.00 11.13 ATOM 1094 HA VAL 69 -19.307 2.170 -12.230 1.00 1.55 ATOM 1095 CB VAL 69 -18.902 0.080 -12.495 1.00 44.52 ATOM 1096 HB VAL 69 -19.035 0.134 -13.568 1.00 31.12 ATOM 1097 CG1 VAL 69 -17.410 0.236 -12.199 1.00 54.35 ATOM 1098 HG11 VAL 69 -17.059 1.181 -12.590 1.00 33.41 ATOM 1099 HG12 VAL 69 -16.863 -0.570 -12.667 1.00 43.10 ATOM 1100 HG13 VAL 69 -17.248 0.208 -11.130 1.00 42.44 ATOM 1101 CG2 VAL 69 -19.408 -1.281 -12.022 1.00 3.14 ATOM 1102 HG21 VAL 69 -20.447 -1.396 -12.295 1.00 15.21 ATOM 1103 HG22 VAL 69 -19.309 -1.350 -10.949 1.00 53.14 ATOM 1104 HG23 VAL 69 -18.826 -2.065 -12.488 1.00 31.30 ATOM 1105 C VAL 69 -21.191 1.154 -12.274 1.00 61.34 ATOM 1106 O VAL 69 -21.573 1.691 -13.312 1.00 13.11 ATOM 1107 N LEU 70 -22.023 0.498 -11.460 1.00 23.21 ATOM 1108 HN LEU 70 -21.656 0.034 -10.677 1.00 37.11 ATOM 1109 CA LEU 70 -23.471 0.446 -11.711 1.00 61.32 ATOM 1110 HA LEU 70 -23.615 0.081 -12.718 1.00 5.43 ATOM 1111 CB LEU 70 -24.159 -0.520 -10.734 1.00 14.54 ATOM 1112 HB1 LEU 70 -25.227 -0.355 -10.787 1.00 37.11 ATOM 1113 HB2 LEU 70 -23.827 -0.279 -9.733 1.00 51.00 ATOM 1114 CG LEU 70 -23.894 -2.015 -10.984 1.00 70.44 ATOM 1115 HG LEU 70 -22.827 -2.192 -10.965 1.00 63.41 ATOM 1116 CD1 LEU 70 -24.528 -2.861 -9.884 1.00 12.55 ATOM 1117 HD11 LEU 70 -25.599 -2.718 -9.890 1.00 35.23 ATOM 1118 HD12 LEU 70 -24.131 -2.561 -8.925 1.00 71.52 ATOM 1119 HD13 LEU 70 -24.303 -3.904 -10.056 1.00 41.50 ATOM 1120 CD2 LEU 70 -24.416 -2.435 -12.359 1.00 23.45 ATOM 1121 HD21 LEU 70 -25.478 -2.243 -12.418 1.00 53.14 ATOM 1122 HD22 LEU 70 -24.233 -3.490 -12.508 1.00 71.23 ATOM 1123 HD23 LEU 70 -23.906 -1.872 -13.127 1.00 43.13 ATOM 1124 C LEU 70 -24.114 1.840 -11.603 1.00 51.32 ATOM 1125 O LEU 70 -24.950 2.211 -12.427 1.00 30.33 ATOM 1126 N ASN 71 -23.724 2.607 -10.586 1.00 13.03 ATOM 1127 HN ASN 71 -23.054 2.263 -9.956 1.00 37.11 ATOM 1128 CA ASN 71 -24.279 3.951 -10.379 1.00 53.41 ATOM 1129 HA ASN 71 -25.356 3.856 -10.352 1.00 52.43 ATOM 1130 CB ASN 71 -23.807 4.529 -9.039 1.00 54.11 ATOM 1131 HB1 ASN 71 -24.133 5.556 -8.960 1.00 37.11 ATOM 1132 HB2 ASN 71 -22.727 4.494 -8.998 1.00 75.01 ATOM 1133 CG ASN 71 -24.360 3.756 -7.854 1.00 61.21 ATOM 1134 OD1 ASN 71 -25.417 3.145 -7.939 1.00 22.21 ATOM 1135 ND2 ASN 71 -23.668 3.794 -6.735 1.00 0.22 ATOM 1136 HD21 ASN 71 -22.838 4.313 -6.719 1.00 35.12 ATOM 1137 HD22 ASN 71 -24.018 3.305 -5.966 1.00 75.50 ATOM 1138 C ASN 71 -23.908 4.903 -11.528 1.00 23.10 ATOM 1139 O ASN 71 -24.783 5.529 -12.131 1.00 43.45 ATOM 1140 N GLN 72 -22.615 4.998 -11.842 1.00 12.44 ATOM 1141 HN GLN 72 -21.955 4.487 -11.323 1.00 37.11 ATOM 1142 CA GLN 72 -22.158 5.861 -12.942 1.00 11.41 ATOM 1143 HA GLN 72 -22.533 6.856 -12.741 1.00 32.41 ATOM 1144 CB GLN 72 -20.620 5.921 -12.993 1.00 33.20 ATOM 1145 HB1 GLN 72 -20.259 6.376 -12.082 1.00 37.11 ATOM 1146 HB2 GLN 72 -20.327 6.541 -13.828 1.00 4.32 ATOM 1147 CG GLN 72 -19.940 4.565 -13.151 1.00 24.34 ATOM 1148 HG1 GLN 72 -20.194 4.163 -14.122 1.00 37.11 ATOM 1149 HG2 GLN 72 -20.312 3.899 -12.384 1.00 1.13 ATOM 1150 CD GLN 72 -18.420 4.634 -13.038 1.00 61.53 ATOM 1151 OE1 GLN 72 -17.704 3.863 -13.667 1.00 3.01 ATOM 1152 NE2 GLN 72 -17.918 5.541 -12.219 1.00 11.23 ATOM 1153 HE21 GLN 72 -18.534 6.117 -11.728 1.00 43.52 ATOM 1154 HE22 GLN 72 -16.944 5.596 -12.136 1.00 71.35 ATOM 1155 C GLN 72 -22.736 5.397 -14.295 1.00 64.34 ATOM 1156 O GLN 72 -23.061 6.218 -15.155 1.00 73.03 ATOM 1157 N ALA 73 -22.874 4.080 -14.474 1.00 72.35 ATOM 1158 HN ALA 73 -22.524 3.465 -13.793 1.00 37.11 ATOM 1159 CA ALA 73 -23.527 3.526 -15.669 1.00 62.41 ATOM 1160 HA ALA 73 -23.000 3.899 -16.537 1.00 1.04 ATOM 1161 CB ALA 73 -23.433 2.004 -15.677 1.00 44.54 ATOM 1162 HB1 ALA 73 -23.849 1.622 -16.599 1.00 2.33 ATOM 1163 HB2 ALA 73 -23.988 1.603 -14.842 1.00 21.33 ATOM 1164 HB3 ALA 73 -22.398 1.705 -15.598 1.00 30.12 ATOM 1165 C ALA 73 -24.993 3.971 -15.751 1.00 1.50 ATOM 1166 O ALA 73 -25.489 4.316 -16.825 1.00 10.13 ATOM 1167 N THR 74 -25.682 3.964 -14.606 1.00 51.01 ATOM 1168 HN THR 74 -25.250 3.621 -13.795 1.00 37.11 ATOM 1169 CA THR 74 -27.064 4.461 -14.528 1.00 4.15 ATOM 1170 HA THR 74 -27.675 3.846 -15.176 1.00 2.14 ATOM 1171 CB THR 74 -27.634 4.369 -13.088 1.00 73.43 ATOM 1172 HB THR 74 -26.990 4.932 -12.426 1.00 72.23 ATOM 1173 OG1 THR 74 -27.659 3.003 -12.652 1.00 12.13 ATOM 1174 HG1 THR 74 -26.779 2.746 -12.352 1.00 72.32 ATOM 1175 CG2 THR 74 -29.044 4.952 -13.004 1.00 71.12 ATOM 1176 HG21 THR 74 -29.700 4.410 -13.670 1.00 25.31 ATOM 1177 HG22 THR 74 -29.024 5.995 -13.289 1.00 50.14 ATOM 1178 HG23 THR 74 -29.411 4.865 -11.992 1.00 60.11 ATOM 1179 C THR 74 -27.149 5.916 -15.001 1.00 30.23 ATOM 1180 O THR 74 -28.036 6.279 -15.773 1.00 64.11 ATOM 1181 N GLU 75 -26.211 6.742 -14.542 1.00 60.44 ATOM 1182 HN GLU 75 -25.548 6.402 -13.902 1.00 37.11 ATOM 1183 CA GLU 75 -26.147 8.146 -14.957 1.00 14.32 ATOM 1184 HA GLU 75 -27.088 8.606 -14.688 1.00 24.12 ATOM 1185 CB GLU 75 -25.017 8.871 -14.214 1.00 42.11 ATOM 1186 HB1 GLU 75 -24.919 9.871 -14.613 1.00 37.11 ATOM 1187 HB2 GLU 75 -24.091 8.337 -14.379 1.00 43.23 ATOM 1188 CG GLU 75 -25.243 8.978 -12.709 1.00 12.21 ATOM 1189 HG1 GLU 75 -25.288 7.980 -12.294 1.00 37.11 ATOM 1190 HG2 GLU 75 -26.186 9.478 -12.534 1.00 11.21 ATOM 1191 CD GLU 75 -24.144 9.756 -11.999 1.00 51.01 ATOM 1192 OE1 GLU 75 -23.484 9.190 -11.103 1.00 13.22 ATOM 1193 OE2 GLU 75 -23.943 10.946 -12.327 1.00 73.33 ATOM 1194 C GLU 75 -25.960 8.279 -16.480 1.00 53.44 ATOM 1195 O GLU 75 -26.538 9.167 -17.107 1.00 14.34 ATOM 1196 N VAL 76 -25.152 7.395 -17.072 1.00 63.24 ATOM 1197 HN VAL 76 -24.663 6.749 -16.517 1.00 37.11 ATOM 1198 CA VAL 76 -24.967 7.370 -18.532 1.00 23.04 ATOM 1199 HA VAL 76 -24.653 8.360 -18.842 1.00 55.13 ATOM 1200 CB VAL 76 -23.869 6.355 -18.954 1.00 53.02 ATOM 1201 HB VAL 76 -24.180 5.370 -18.630 1.00 43.35 ATOM 1202 CG1 VAL 76 -23.706 6.323 -20.475 1.00 4.54 ATOM 1203 HG11 VAL 76 -23.439 7.308 -20.832 1.00 42.20 ATOM 1204 HG12 VAL 76 -24.635 6.015 -20.932 1.00 75.15 ATOM 1205 HG13 VAL 76 -22.927 5.622 -20.742 1.00 11.01 ATOM 1206 CG2 VAL 76 -22.537 6.678 -18.276 1.00 44.31 ATOM 1207 HG21 VAL 76 -22.222 7.674 -18.552 1.00 63.51 ATOM 1208 HG22 VAL 76 -21.788 5.965 -18.591 1.00 41.13 ATOM 1209 HG23 VAL 76 -22.654 6.623 -17.202 1.00 51.52 ATOM 1210 C VAL 76 -26.286 7.022 -19.250 1.00 70.15 ATOM 1211 O VAL 76 -26.657 7.656 -20.242 1.00 13.13 ATOM 1212 N ILE 77 -26.989 6.013 -18.736 1.00 60.44 ATOM 1213 HN ILE 77 -26.619 5.519 -17.973 1.00 37.11 ATOM 1214 CA ILE 77 -28.296 5.613 -19.274 1.00 41.43 ATOM 1215 HA ILE 77 -28.162 5.345 -20.314 1.00 3.34 ATOM 1216 CB ILE 77 -28.847 4.372 -18.519 1.00 40.10 ATOM 1217 HB ILE 77 -28.891 4.613 -17.465 1.00 54.41 ATOM 1218 CG1 ILE 77 -27.905 3.169 -18.714 1.00 72.02 ATOM 1219 HG11 ILE 77 -26.914 3.437 -18.376 1.00 37.11 ATOM 1220 HG12 ILE 77 -27.864 2.918 -19.763 1.00 15.23 ATOM 1221 CG2 ILE 77 -30.265 4.035 -18.983 1.00 0.04 ATOM 1222 HG21 ILE 77 -30.919 4.872 -18.784 1.00 30.02 ATOM 1223 HG22 ILE 77 -30.624 3.165 -18.452 1.00 52.51 ATOM 1224 HG23 ILE 77 -30.259 3.830 -20.044 1.00 72.41 ATOM 1225 CD1 ILE 77 -28.330 1.924 -17.959 1.00 64.11 ATOM 1226 HD11 ILE 77 -27.626 1.127 -18.153 1.00 74.23 ATOM 1227 HD12 ILE 77 -29.313 1.621 -18.286 1.00 63.11 ATOM 1228 HD13 ILE 77 -28.351 2.134 -16.899 1.00 34.43 ATOM 1229 C ILE 77 -29.311 6.767 -19.185 1.00 70.42 ATOM 1230 O ILE 77 -30.011 7.076 -20.153 1.00 70.11 ATOM 1231 N ASN 78 -29.376 7.407 -18.018 1.00 23.43 ATOM 1232 HN ASN 78 -28.816 7.098 -17.275 1.00 37.11 ATOM 1233 CA ASN 78 -30.262 8.558 -17.812 1.00 32.14 ATOM 1234 HA ASN 78 -31.264 8.258 -18.088 1.00 45.40 ATOM 1235 CB ASN 78 -30.258 8.981 -16.341 1.00 40.43 ATOM 1236 HB1 ASN 78 -30.907 9.838 -16.216 1.00 37.11 ATOM 1237 HB2 ASN 78 -29.252 9.256 -16.057 1.00 53.41 ATOM 1238 CG ASN 78 -30.734 7.879 -15.410 1.00 3.34 ATOM 1239 OD1 ASN 78 -31.529 7.021 -15.786 1.00 11.01 ATOM 1240 ND2 ASN 78 -30.254 7.895 -14.184 1.00 74.11 ATOM 1241 HD21 ASN 78 -29.623 8.604 -13.943 1.00 4.52 ATOM 1242 HD22 ASN 78 -30.562 7.207 -13.561 1.00 52.54 ATOM 1243 C ASN 78 -29.847 9.747 -18.691 1.00 73.11 ATOM 1244 O ASN 78 -30.694 10.509 -19.157 1.00 22.25 ATOM 1245 N PHE 79 -28.542 9.902 -18.905 1.00 70.14 ATOM 1246 HN PHE 79 -27.913 9.294 -18.460 1.00 37.11 ATOM 1247 CA PHE 79 -28.014 10.959 -19.777 1.00 5.42 ATOM 1248 HA PHE 79 -28.365 11.909 -19.395 1.00 71.52 ATOM 1249 CB PHE 79 -26.477 10.945 -19.755 1.00 24.23 ATOM 1250 HB1 PHE 79 -26.129 10.014 -20.185 1.00 37.11 ATOM 1251 HB2 PHE 79 -26.139 11.006 -18.731 1.00 31.10 ATOM 1252 CG PHE 79 -25.835 12.080 -20.518 1.00 14.14 ATOM 1253 CD1 PHE 79 -25.312 11.880 -21.789 1.00 31.41 ATOM 1254 HD1 PHE 79 -25.366 10.897 -22.236 1.00 72.14 ATOM 1255 CD2 PHE 79 -25.757 13.349 -19.960 1.00 14.23 ATOM 1256 HD2 PHE 79 -26.162 13.520 -18.973 1.00 53.11 ATOM 1257 CE1 PHE 79 -24.723 12.919 -22.483 1.00 51.51 ATOM 1258 HE1 PHE 79 -24.320 12.749 -23.471 1.00 1.44 ATOM 1259 CE2 PHE 79 -25.169 14.391 -20.651 1.00 23.31 ATOM 1260 HE2 PHE 79 -25.113 15.374 -20.204 1.00 5.35 ATOM 1261 CZ PHE 79 -24.652 14.176 -21.914 1.00 4.20 ATOM 1262 HZ PHE 79 -24.191 14.990 -22.456 1.00 21.33 ATOM 1263 C PHE 79 -28.526 10.779 -21.217 1.00 44.51 ATOM 1264 O PHE 79 -29.063 11.708 -21.817 1.00 4.44 ATOM 1265 N TRP 80 -28.367 9.568 -21.757 1.00 22.11 ATOM 1266 HN TRP 80 -27.900 8.873 -21.240 1.00 37.11 ATOM 1267 CA TRP 80 -28.865 9.244 -23.101 1.00 3.43 ATOM 1268 HA TRP 80 -28.387 9.915 -23.802 1.00 71.45 ATOM 1269 CB TRP 80 -28.494 7.795 -23.461 1.00 15.24 ATOM 1270 HB1 TRP 80 -29.035 7.121 -22.810 1.00 37.11 ATOM 1271 HB2 TRP 80 -27.434 7.655 -23.308 1.00 74.23 ATOM 1272 CG TRP 80 -28.806 7.419 -24.882 1.00 2.43 ATOM 1273 CD1 TRP 80 -28.027 7.649 -25.980 1.00 3.34 ATOM 1274 HD1 TRP 80 -27.067 8.145 -25.951 1.00 41.11 ATOM 1275 CD2 TRP 80 -29.979 6.744 -25.358 1.00 75.11 ATOM 1276 NE1 TRP 80 -28.641 7.158 -27.106 1.00 22.14 ATOM 1277 HE1 TRP 80 -28.278 7.200 -28.017 1.00 14.13 ATOM 1278 CE2 TRP 80 -29.840 6.599 -26.750 1.00 60.33 ATOM 1279 CE3 TRP 80 -31.132 6.249 -24.742 1.00 11.40 ATOM 1280 HE3 TRP 80 -31.278 6.338 -23.675 1.00 41.31 ATOM 1281 CZ2 TRP 80 -30.809 5.979 -27.535 1.00 22.45 ATOM 1282 HZ2 TRP 80 -30.694 5.869 -28.604 1.00 31.34 ATOM 1283 CZ3 TRP 80 -32.092 5.634 -25.522 1.00 34.53 ATOM 1284 HZ3 TRP 80 -32.990 5.246 -25.064 1.00 14.30 ATOM 1285 CH2 TRP 80 -31.926 5.505 -26.905 1.00 21.53 ATOM 1286 HH2 TRP 80 -32.703 5.017 -27.474 1.00 62.02 ATOM 1287 C TRP 80 -30.390 9.446 -23.181 1.00 73.43 ATOM 1288 O TRP 80 -30.908 10.012 -24.146 1.00 22.41 ATOM 1289 N GLN 81 -31.102 8.985 -22.150 1.00 52.03 ATOM 1290 HN GLN 81 -30.640 8.490 -21.437 1.00 37.11 ATOM 1291 CA GLN 81 -32.553 9.194 -22.049 1.00 33.11 ATOM 1292 HA GLN 81 -33.013 8.756 -22.924 1.00 51.34 ATOM 1293 CB GLN 81 -33.097 8.498 -20.790 1.00 62.50 ATOM 1294 HB1 GLN 81 -32.657 8.962 -19.918 1.00 37.11 ATOM 1295 HB2 GLN 81 -32.801 7.459 -20.816 1.00 12.02 ATOM 1296 CG GLN 81 -34.617 8.555 -20.647 1.00 53.34 ATOM 1297 HG1 GLN 81 -34.945 9.575 -20.792 1.00 37.11 ATOM 1298 HG2 GLN 81 -34.883 8.235 -19.650 1.00 42.03 ATOM 1299 CD GLN 81 -35.340 7.664 -21.647 1.00 55.12 ATOM 1300 OE1 GLN 81 -35.657 8.076 -22.758 1.00 2.11 ATOM 1301 NE2 GLN 81 -35.609 6.434 -21.258 1.00 42.45 ATOM 1302 HE21 GLN 81 -35.333 6.163 -20.357 1.00 74.13 ATOM 1303 HE22 GLN 81 -36.080 5.846 -21.881 1.00 21.24 ATOM 1304 C GLN 81 -32.889 10.698 -22.008 1.00 2.21 ATOM 1305 O GLN 81 -33.881 11.147 -22.589 1.00 52.00 ATOM 1306 N ASP 82 -32.042 11.467 -21.319 1.00 1.44 ATOM 1307 HN ASP 82 -31.284 11.042 -20.864 1.00 37.11 ATOM 1308 CA ASP 82 -32.197 12.923 -21.212 1.00 60.51 ATOM 1309 HA ASP 82 -33.161 13.124 -20.767 1.00 61.31 ATOM 1310 CB ASP 82 -31.098 13.489 -20.300 1.00 32.52 ATOM 1311 HB1 ASP 82 -30.136 13.335 -20.769 1.00 37.11 ATOM 1312 HB2 ASP 82 -31.117 12.962 -19.355 1.00 1.22 ATOM 1313 CG ASP 82 -31.273 14.967 -20.024 1.00 11.31 ATOM 1314 OD1 ASP 82 -30.416 15.778 -20.449 1.00 62.44 ATOM 1315 OD2 ASP 82 -32.281 15.331 -19.385 1.00 34.32 ATOM 1316 C ASP 82 -32.137 13.590 -22.597 1.00 55.21 ATOM 1317 O ASP 82 -32.950 14.465 -22.929 1.00 64.51 ATOM 1318 N LEU 83 -31.174 13.156 -23.403 1.00 14.30 ATOM 1319 HN LEU 83 -30.565 12.457 -23.077 1.00 37.11 ATOM 1320 CA LEU 83 -30.984 13.689 -24.751 1.00 33.13 ATOM 1321 HA LEU 83 -30.841 14.758 -24.669 1.00 0.25 ATOM 1322 CB LEU 83 -29.736 13.069 -25.398 1.00 33.41 ATOM 1323 HB1 LEU 83 -29.523 13.613 -26.308 1.00 37.11 ATOM 1324 HB2 LEU 83 -29.964 12.044 -25.659 1.00 25.11 ATOM 1325 CG LEU 83 -28.466 13.071 -24.529 1.00 21.53 ATOM 1326 HG LEU 83 -28.610 12.389 -23.703 1.00 11.11 ATOM 1327 CD1 LEU 83 -27.266 12.572 -25.327 1.00 22.33 ATOM 1328 HD11 LEU 83 -27.107 13.214 -26.182 1.00 34.34 ATOM 1329 HD12 LEU 83 -27.452 11.563 -25.665 1.00 22.01 ATOM 1330 HD13 LEU 83 -26.385 12.583 -24.701 1.00 11.31 ATOM 1331 CD2 LEU 83 -28.199 14.457 -23.947 1.00 70.04 ATOM 1332 HD21 LEU 83 -27.330 14.418 -23.307 1.00 32.41 ATOM 1333 HD22 LEU 83 -29.056 14.781 -23.369 1.00 22.30 ATOM 1334 HD23 LEU 83 -28.023 15.160 -24.749 1.00 54.14 ATOM 1335 C LEU 83 -32.211 13.421 -25.637 1.00 23.42 ATOM 1336 O LEU 83 -32.596 14.263 -26.446 1.00 71.14 ATOM 1337 N LYS 84 -32.826 12.249 -25.465 1.00 53.22 ATOM 1338 HN LYS 84 -32.495 11.638 -24.770 1.00 37.11 ATOM 1339 CA LYS 84 -33.973 11.839 -26.290 1.00 31.02 ATOM 1340 HA LYS 84 -33.651 11.833 -27.321 1.00 34.21 ATOM 1341 CB LYS 84 -34.420 10.423 -25.904 1.00 3.31 ATOM 1342 HB1 LYS 84 -34.751 10.430 -24.875 1.00 37.11 ATOM 1343 HB2 LYS 84 -33.574 9.756 -25.994 1.00 73.01 ATOM 1344 CG LYS 84 -35.557 9.877 -26.773 1.00 11.42 ATOM 1345 HG1 LYS 84 -35.149 9.553 -27.721 1.00 37.11 ATOM 1346 HG2 LYS 84 -36.277 10.665 -26.943 1.00 42.04 ATOM 1347 CD LYS 84 -36.268 8.700 -26.110 1.00 22.34 ATOM 1348 HD1 LYS 84 -37.045 8.344 -26.774 1.00 37.11 ATOM 1349 HD2 LYS 84 -36.715 9.037 -25.184 1.00 22.01 ATOM 1350 CE LYS 84 -35.319 7.550 -25.801 1.00 53.51 ATOM 1351 HE1 LYS 84 -34.476 7.930 -25.241 1.00 37.11 ATOM 1352 HE2 LYS 84 -34.972 7.121 -26.731 1.00 63.54 ATOM 1353 NZ LYS 84 -35.989 6.493 -25.003 1.00 33.24 ATOM 1354 HZ1 LYS 84 -36.360 6.898 -24.118 1.00 60.30 ATOM 1355 HZ2 LYS 84 -35.317 5.738 -24.768 1.00 30.32 ATOM 1356 HZ3 LYS 84 -36.780 6.085 -25.539 1.00 70.41 ATOM 1357 C LYS 84 -35.170 12.798 -26.151 1.00 43.32 ATOM 1358 O LYS 84 -35.737 13.243 -27.151 1.00 2.04 ATOM 1359 N ASN 85 -35.550 13.124 -24.914 1.00 73.15 ATOM 1360 HN ASN 85 -35.025 12.801 -24.149 1.00 37.11 ATOM 1361 CA ASN 85 -36.735 13.963 -24.681 1.00 31.53 ATOM 1362 HA ASN 85 -37.502 13.618 -25.363 1.00 31.33 ATOM 1363 CB ASN 85 -37.264 13.805 -23.246 1.00 2.10 ATOM 1364 HB1 ASN 85 -37.621 12.793 -23.113 1.00 37.11 ATOM 1365 HB2 ASN 85 -38.090 14.486 -23.097 1.00 10.44 ATOM 1366 CG ASN 85 -36.221 14.088 -22.180 1.00 31.21 ATOM 1367 OD1 ASN 85 -36.014 15.226 -21.778 1.00 42.41 ATOM 1368 ND2 ASN 85 -35.571 13.052 -21.694 1.00 53.53 ATOM 1369 HD21 ASN 85 -35.785 12.162 -22.040 1.00 51.33 ATOM 1370 HD22 ASN 85 -34.909 13.216 -20.999 1.00 51.01 ATOM 1371 C ASN 85 -36.462 15.442 -24.997 1.00 64.34 ATOM 1372 O ASN 85 -37.387 16.204 -25.282 1.00 62.31 ATOM 1373 N GLN 86 -35.195 15.849 -24.939 1.00 65.11 ATOM 1374 HN GLN 86 -34.504 15.222 -24.620 1.00 37.11 ATOM 1375 CA GLN 86 -34.808 17.221 -25.304 1.00 21.44 ATOM 1376 HA GLN 86 -35.691 17.841 -25.238 1.00 61.42 ATOM 1377 CB GLN 86 -33.767 17.745 -24.311 1.00 2.43 ATOM 1378 HB1 GLN 86 -33.434 18.723 -24.629 1.00 37.11 ATOM 1379 HB2 GLN 86 -32.920 17.072 -24.307 1.00 3.42 ATOM 1380 CG GLN 86 -34.299 17.857 -22.887 1.00 32.31 ATOM 1381 HG1 GLN 86 -34.708 16.899 -22.593 1.00 37.11 ATOM 1382 HG2 GLN 86 -35.083 18.600 -22.865 1.00 73.04 ATOM 1383 CD GLN 86 -33.232 18.254 -21.890 1.00 12.53 ATOM 1384 OE1 GLN 86 -33.029 19.430 -21.600 1.00 2.41 ATOM 1385 NE2 GLN 86 -32.526 17.273 -21.376 1.00 51.20 ATOM 1386 HE21 GLN 86 -32.727 16.359 -21.664 1.00 4.31 ATOM 1387 HE22 GLN 86 -31.832 17.491 -20.718 1.00 2.02 ATOM 1388 C GLN 86 -34.263 17.305 -26.740 1.00 45.24 ATOM 1389 O GLN 86 -33.942 18.391 -27.224 1.00 52.43 ATOM 1390 N ASN 87 -34.170 16.156 -27.412 1.00 43.42 ATOM 1391 HN ASN 87 -34.465 15.331 -26.975 1.00 37.11 ATOM 1392 CA ASN 87 -33.641 16.077 -28.786 1.00 4.22 ATOM 1393 HA ASN 87 -33.632 15.032 -29.062 1.00 20.31 ATOM 1394 CB ASN 87 -34.556 16.830 -29.765 1.00 45.10 ATOM 1395 HB1 ASN 87 -34.104 16.830 -30.748 1.00 37.11 ATOM 1396 HB2 ASN 87 -34.673 17.851 -29.427 1.00 52.23 ATOM 1397 CG ASN 87 -35.932 16.198 -29.866 1.00 11.53 ATOM 1398 OD1 ASN 87 -36.849 16.554 -29.135 1.00 61.53 ATOM 1399 ND2 ASN 87 -36.089 15.246 -30.766 1.00 51.21 ATOM 1400 HD21 ASN 87 -35.320 14.995 -31.320 1.00 62.54 ATOM 1401 HD22 ASN 87 -36.969 14.823 -30.838 1.00 40.50 ATOM 1402 C ASN 87 -32.199 16.608 -28.882 1.00 33.53 ATOM 1403 O ASN 87 -31.779 17.114 -29.927 1.00 12.14 ATOM 1404 N LYS 88 -31.435 16.461 -27.799 1.00 70.24 ATOM 1405 HN LYS 88 -31.820 16.047 -26.999 1.00 37.11 ATOM 1406 CA LYS 88 -30.031 16.891 -27.780 1.00 32.12 ATOM 1407 HA LYS 88 -29.995 17.918 -28.117 1.00 34.12 ATOM 1408 CB LYS 88 -29.444 16.812 -26.364 1.00 4.41 ATOM 1409 HB1 LYS 88 -28.379 16.995 -26.421 1.00 37.11 ATOM 1410 HB2 LYS 88 -29.601 15.814 -25.985 1.00 60.10 ATOM 1411 CG LYS 88 -30.036 17.792 -25.356 1.00 1.22 ATOM 1412 HG1 LYS 88 -31.097 17.611 -25.267 1.00 37.11 ATOM 1413 HG2 LYS 88 -29.864 18.802 -25.700 1.00 23.50 ATOM 1414 CD LYS 88 -29.381 17.606 -23.987 1.00 13.41 ATOM 1415 HD1 LYS 88 -28.310 17.725 -24.098 1.00 37.11 ATOM 1416 HD2 LYS 88 -29.592 16.605 -23.637 1.00 4.11 ATOM 1417 CE LYS 88 -29.880 18.595 -22.944 1.00 41.42 ATOM 1418 HE1 LYS 88 -30.960 18.553 -22.907 1.00 37.11 ATOM 1419 HE2 LYS 88 -29.568 19.590 -23.225 1.00 20.52 ATOM 1420 NZ LYS 88 -29.335 18.280 -21.593 1.00 74.03 ATOM 1421 HZ1 LYS 88 -28.295 18.264 -21.620 1.00 40.41 ATOM 1422 HZ2 LYS 88 -29.676 17.349 -21.273 1.00 22.54 ATOM 1423 HZ3 LYS 88 -29.638 19.000 -20.906 1.00 13.32 ATOM 1424 C LYS 88 -29.173 16.034 -28.722 1.00 62.02 ATOM 1425 O LYS 88 -28.569 15.043 -28.304 1.00 13.05 ATOM 1426 N GLN 89 -29.139 16.401 -29.995 1.00 65.43 ATOM 1427 HN GLN 89 -29.707 17.144 -30.290 1.00 37.11 ATOM 1428 CA GLN 89 -28.294 15.712 -30.969 1.00 2.21 ATOM 1429 HA GLN 89 -28.370 14.650 -30.775 1.00 21.34 ATOM 1430 CB GLN 89 -28.796 15.990 -32.396 1.00 62.13 ATOM 1431 HB1 GLN 89 -28.109 15.541 -33.102 1.00 37.11 ATOM 1432 HB2 GLN 89 -28.816 17.059 -32.560 1.00 13.51 ATOM 1433 CG GLN 89 -30.191 15.436 -32.668 1.00 54.34 ATOM 1434 HG1 GLN 89 -30.877 15.850 -31.942 1.00 37.11 ATOM 1435 HG2 GLN 89 -30.164 14.361 -32.563 1.00 50.44 ATOM 1436 CD GLN 89 -30.692 15.773 -34.062 1.00 64.52 ATOM 1437 OE1 GLN 89 -30.440 15.044 -35.015 1.00 31.35 ATOM 1438 NE2 GLN 89 -31.412 16.871 -34.195 1.00 70.14 ATOM 1439 HE21 GLN 89 -31.590 17.412 -33.398 1.00 11.42 ATOM 1440 HE22 GLN 89 -31.739 17.098 -35.089 1.00 21.23 ATOM 1441 C GLN 89 -26.824 16.131 -30.808 1.00 54.41 ATOM 1442 O GLN 89 -26.283 16.884 -31.619 1.00 74.02 ATOM 1443 N ILE 90 -26.197 15.659 -29.730 1.00 23.41 ATOM 1444 HN ILE 90 -26.686 15.069 -29.119 1.00 37.11 ATOM 1445 CA ILE 90 -24.802 16.003 -29.422 1.00 35.44 ATOM 1446 HA ILE 90 -24.536 16.878 -30.003 1.00 33.55 ATOM 1447 CB ILE 90 -24.634 16.353 -27.919 1.00 32.10 ATOM 1448 HB ILE 90 -23.612 16.671 -27.761 1.00 32.21 ATOM 1449 CG1 ILE 90 -24.921 15.125 -27.036 1.00 33.41 ATOM 1450 HG11 ILE 90 -24.278 14.311 -27.342 1.00 37.11 ATOM 1451 HG12 ILE 90 -25.952 14.829 -27.164 1.00 23.30 ATOM 1452 CG2 ILE 90 -25.551 17.517 -27.535 1.00 21.23 ATOM 1453 HG21 ILE 90 -26.583 17.237 -27.702 1.00 10.42 ATOM 1454 HG22 ILE 90 -25.312 18.380 -28.140 1.00 42.41 ATOM 1455 HG23 ILE 90 -25.411 17.762 -26.491 1.00 53.20 ATOM 1456 CD1 ILE 90 -24.693 15.367 -25.558 1.00 61.44 ATOM 1457 HD11 ILE 90 -23.668 15.664 -25.394 1.00 61.45 ATOM 1458 HD12 ILE 90 -24.896 14.459 -25.010 1.00 62.35 ATOM 1459 HD13 ILE 90 -25.354 16.150 -25.213 1.00 24.32 ATOM 1460 C ILE 90 -23.836 14.859 -29.783 1.00 2.13 ATOM 1461 O ILE 90 -24.240 13.700 -29.917 1.00 53.23 ATOM 1462 N SER 91 -22.555 15.192 -29.940 1.00 60.30 ATOM 1463 HN SER 91 -22.294 16.134 -29.851 1.00 37.11 ATOM 1464 CA SER 91 -21.523 14.193 -30.250 1.00 2.41 ATOM 1465 HA SER 91 -21.983 13.413 -30.842 1.00 14.54 ATOM 1466 CB SER 91 -20.384 14.824 -31.065 1.00 44.20 ATOM 1467 HB1 SER 91 -19.634 14.073 -31.277 1.00 37.11 ATOM 1468 HB2 SER 91 -19.937 15.625 -30.493 1.00 20.42 ATOM 1469 OG SER 91 -20.855 15.356 -32.297 1.00 15.44 ATOM 1470 HG SER 91 -21.286 14.657 -32.810 1.00 5.32 ATOM 1471 C SER 91 -20.953 13.560 -28.971 1.00 65.03 ATOM 1472 O SER 91 -21.071 14.118 -27.880 1.00 52.33 ATOM 1473 N MET 92 -20.317 12.397 -29.123 1.00 24.32 ATOM 1474 HN MET 92 -20.238 12.018 -30.027 1.00 37.11 ATOM 1475 CA MET 92 -19.754 11.643 -27.987 1.00 15.32 ATOM 1476 HA MET 92 -20.584 11.307 -27.384 1.00 14.34 ATOM 1477 CB MET 92 -18.994 10.410 -28.499 1.00 72.31 ATOM 1478 HB1 MET 92 -19.684 9.775 -29.036 1.00 37.11 ATOM 1479 HB2 MET 92 -18.605 9.863 -27.652 1.00 52.22 ATOM 1480 CG MET 92 -17.830 10.740 -29.430 1.00 43.34 ATOM 1481 HG1 MET 92 -17.144 11.395 -28.911 1.00 37.11 ATOM 1482 HG2 MET 92 -18.215 11.247 -30.304 1.00 72.32 ATOM 1483 SD MET 92 -16.929 9.273 -29.969 1.00 44.24 ATOM 1484 CE MET 92 -16.272 8.674 -28.413 1.00 64.43 ATOM 1485 HE1 MET 92 -17.086 8.463 -27.735 1.00 71.53 ATOM 1486 HE2 MET 92 -15.628 9.425 -27.981 1.00 54.54 ATOM 1487 HE3 MET 92 -15.704 7.771 -28.586 1.00 21.41 ATOM 1488 C MET 92 -18.821 12.493 -27.098 1.00 32.45 ATOM 1489 O MET 92 -18.680 12.221 -25.904 1.00 50.22 ATOM 1490 N ALA 93 -18.185 13.509 -27.680 1.00 21.13 ATOM 1491 HN ALA 93 -18.336 13.681 -28.631 1.00 37.11 ATOM 1492 CA ALA 93 -17.263 14.379 -26.936 1.00 4.53 ATOM 1493 HA ALA 93 -16.424 13.774 -26.620 1.00 32.22 ATOM 1494 CB ALA 93 -16.732 15.481 -27.845 1.00 51.51 ATOM 1495 HB1 ALA 93 -17.553 16.094 -28.187 1.00 75.44 ATOM 1496 HB2 ALA 93 -16.236 15.039 -28.696 1.00 13.44 ATOM 1497 HB3 ALA 93 -16.029 16.095 -27.299 1.00 23.44 ATOM 1498 C ALA 93 -17.929 14.989 -25.692 1.00 2.45 ATOM 1499 O ALA 93 -17.395 14.905 -24.584 1.00 52.50 ATOM 1500 N GLU 94 -19.107 15.585 -25.878 1.00 52.12 ATOM 1501 HN GLU 94 -19.492 15.611 -26.781 1.00 37.11 ATOM 1502 CA GLU 94 -19.841 16.205 -24.768 1.00 35.43 ATOM 1503 HA GLU 94 -19.175 16.918 -24.299 1.00 71.15 ATOM 1504 CB GLU 94 -21.071 16.955 -25.292 1.00 10.45 ATOM 1505 HB1 GLU 94 -21.629 17.342 -24.450 1.00 37.11 ATOM 1506 HB2 GLU 94 -21.697 16.265 -25.841 1.00 21.14 ATOM 1507 CG GLU 94 -20.724 18.123 -26.211 1.00 50.02 ATOM 1508 HG1 GLU 94 -20.297 17.731 -27.126 1.00 37.11 ATOM 1509 HG2 GLU 94 -19.992 18.747 -25.717 1.00 31.40 ATOM 1510 CD GLU 94 -21.930 18.978 -26.559 1.00 62.31 ATOM 1511 OE1 GLU 94 -22.507 19.593 -25.638 1.00 25.42 ATOM 1512 OE2 GLU 94 -22.291 19.068 -27.752 1.00 62.13 ATOM 1513 C GLU 94 -20.252 15.167 -23.712 1.00 61.55 ATOM 1514 O GLU 94 -20.272 15.459 -22.515 1.00 14.31 ATOM 1515 N ALA 95 -20.560 13.949 -24.157 1.00 22.32 ATOM 1516 HN ALA 95 -20.579 13.786 -25.123 1.00 37.11 ATOM 1517 CA ALA 95 -20.870 12.849 -23.236 1.00 25.45 ATOM 1518 HA ALA 95 -21.710 13.156 -22.625 1.00 60.33 ATOM 1519 CB ALA 95 -21.279 11.603 -24.017 1.00 20.40 ATOM 1520 HB1 ALA 95 -20.453 11.273 -24.630 1.00 73.35 ATOM 1521 HB2 ALA 95 -22.125 11.833 -24.649 1.00 14.44 ATOM 1522 HB3 ALA 95 -21.550 10.817 -23.327 1.00 42.33 ATOM 1523 C ALA 95 -19.670 12.550 -22.321 1.00 11.52 ATOM 1524 O ALA 95 -19.828 12.317 -21.118 1.00 71.02 ATOM 1525 N GLN 96 -18.465 12.585 -22.898 1.00 53.23 ATOM 1526 HN GLN 96 -18.407 12.741 -23.866 1.00 37.11 ATOM 1527 CA GLN 96 -17.227 12.396 -22.131 1.00 2.10 ATOM 1528 HA GLN 96 -17.366 11.534 -21.490 1.00 51.33 ATOM 1529 CB GLN 96 -16.043 12.125 -23.073 1.00 22.25 ATOM 1530 HB1 GLN 96 -15.146 12.005 -22.480 1.00 37.11 ATOM 1531 HB2 GLN 96 -15.918 12.975 -23.730 1.00 23.53 ATOM 1532 CG GLN 96 -16.217 10.876 -23.932 1.00 44.23 ATOM 1533 HG1 GLN 96 -16.974 11.071 -24.680 1.00 37.11 ATOM 1534 HG2 GLN 96 -16.546 10.063 -23.301 1.00 44.12 ATOM 1535 CD GLN 96 -14.937 10.453 -24.635 1.00 55.55 ATOM 1536 OE1 GLN 96 -14.657 10.859 -25.759 1.00 50.25 ATOM 1537 NE2 GLN 96 -14.146 9.630 -23.972 1.00 41.44 ATOM 1538 HE21 GLN 96 -14.422 9.342 -23.079 1.00 41.33 ATOM 1539 HE22 GLN 96 -13.310 9.355 -24.397 1.00 30.34 ATOM 1540 C GLN 96 -16.924 13.617 -21.248 1.00 43.12 ATOM 1541 O GLN 96 -16.095 13.549 -20.339 1.00 43.32 ATOM 1542 N GLY 97 -17.585 14.738 -21.535 1.00 53.32 ATOM 1543 HN GLY 97 -18.156 14.764 -22.332 1.00 37.11 ATOM 1544 CA GLY 97 -17.463 15.924 -20.694 1.00 34.25 ATOM 1545 HA1 GLY 97 -17.914 16.759 -21.208 1.00 37.11 ATOM 1546 HA2 GLY 97 -16.415 16.138 -20.532 1.00 63.45 ATOM 1547 C GLY 97 -18.152 15.751 -19.343 1.00 45.34 ATOM 1548 O GLY 97 -17.723 16.318 -18.337 1.00 42.30 ATOM 1549 N LYS 98 -19.234 14.971 -19.328 1.00 22.04 ATOM 1550 HN LYS 98 -19.554 14.594 -20.174 1.00 37.11 ATOM 1551 CA LYS 98 -19.968 14.675 -18.092 1.00 32.34 ATOM 1552 HA LYS 98 -19.863 15.525 -17.430 1.00 13.22 ATOM 1553 CB LYS 98 -21.466 14.469 -18.413 1.00 21.13 ATOM 1554 HB1 LYS 98 -21.622 13.437 -18.698 1.00 37.11 ATOM 1555 HB2 LYS 98 -21.726 15.098 -19.254 1.00 62.22 ATOM 1556 CG LYS 98 -22.429 14.798 -17.263 1.00 35.55 ATOM 1557 HG1 LYS 98 -23.425 14.912 -17.670 1.00 37.11 ATOM 1558 HG2 LYS 98 -22.122 15.731 -16.813 1.00 32.33 ATOM 1559 CD LYS 98 -22.461 13.722 -16.174 1.00 70.02 ATOM 1560 HD1 LYS 98 -21.478 13.641 -15.734 1.00 37.11 ATOM 1561 HD2 LYS 98 -22.735 12.778 -16.621 1.00 22.54 ATOM 1562 CE LYS 98 -23.468 14.058 -15.073 1.00 35.34 ATOM 1563 HE1 LYS 98 -24.437 14.217 -15.525 1.00 37.11 ATOM 1564 HE2 LYS 98 -23.153 14.966 -14.577 1.00 15.33 ATOM 1565 NZ LYS 98 -23.582 12.973 -14.059 1.00 42.33 ATOM 1566 HZ1 LYS 98 -24.222 13.267 -13.294 1.00 24.41 ATOM 1567 HZ2 LYS 98 -22.653 12.759 -13.647 1.00 22.34 ATOM 1568 HZ3 LYS 98 -23.965 12.110 -14.493 1.00 62.41 ATOM 1569 C LYS 98 -19.373 13.433 -17.398 1.00 24.23 ATOM 1570 O LYS 98 -19.417 13.309 -16.172 1.00 20.24 ATOM 1571 N PHE 99 -18.808 12.518 -18.194 1.00 40.10 ATOM 1572 HN PHE 99 -18.820 12.662 -19.165 1.00 37.11 ATOM 1573 CA PHE 99 -18.175 11.301 -17.662 1.00 51.25 ATOM 1574 HA PHE 99 -18.155 11.378 -16.583 1.00 23.21 ATOM 1575 CB PHE 99 -18.995 10.062 -18.055 1.00 32.31 ATOM 1576 HB1 PHE 99 -18.563 9.191 -17.582 1.00 37.11 ATOM 1577 HB2 PHE 99 -18.951 9.936 -19.128 1.00 54.24 ATOM 1578 CG PHE 99 -20.447 10.133 -17.656 1.00 4.11 ATOM 1579 CD1 PHE 99 -21.421 10.489 -18.581 1.00 33.43 ATOM 1580 HD1 PHE 99 -21.131 10.716 -19.597 1.00 33.52 ATOM 1581 CD2 PHE 99 -20.839 9.845 -16.357 1.00 42.14 ATOM 1582 HD2 PHE 99 -20.092 9.567 -15.628 1.00 65.14 ATOM 1583 CE1 PHE 99 -22.751 10.554 -18.218 1.00 44.55 ATOM 1584 HE1 PHE 99 -23.499 10.831 -18.948 1.00 21.11 ATOM 1585 CE2 PHE 99 -22.168 9.910 -15.990 1.00 74.53 ATOM 1586 HE2 PHE 99 -22.460 9.684 -14.974 1.00 54.21 ATOM 1587 CZ PHE 99 -23.125 10.266 -16.922 1.00 63.54 ATOM 1588 HZ PHE 99 -24.166 10.318 -16.635 1.00 51.53 ATOM 1589 C PHE 99 -16.725 11.153 -18.172 1.00 24.52 ATOM 1590 O PHE 99 -16.445 10.330 -19.046 1.00 60.14 ATOM 1591 N PRO 100 -15.777 11.937 -17.618 1.00 52.14 ATOM 1592 CA PRO 100 -14.381 11.958 -18.100 1.00 34.41 ATOM 1593 HA PRO 100 -14.341 12.148 -19.165 1.00 35.43 ATOM 1594 CB PRO 100 -13.770 13.151 -17.345 1.00 72.45 ATOM 1595 HB1 PRO 100 -13.854 14.044 -17.948 1.00 37.11 ATOM 1596 HB2 PRO 100 -12.729 12.956 -17.128 1.00 62.41 ATOM 1597 CG PRO 100 -14.581 13.260 -16.099 1.00 20.50 ATOM 1598 HG1 PRO 100 -14.564 14.278 -15.733 1.00 37.11 ATOM 1599 HG2 PRO 100 -14.193 12.586 -15.347 1.00 34.31 ATOM 1600 CD PRO 100 -15.982 12.865 -16.485 1.00 3.10 ATOM 1601 HD1 PRO 100 -16.548 13.732 -16.797 1.00 37.11 ATOM 1602 HD2 PRO 100 -16.475 12.367 -15.662 1.00 64.23 ATOM 1603 C PRO 100 -13.607 10.661 -17.796 1.00 51.41 ATOM 1604 O PRO 100 -12.590 10.372 -18.427 1.00 40.21 ATOM 1605 N GLU 101 -14.087 9.879 -16.829 1.00 21.25 ATOM 1606 HN GLU 101 -14.904 10.147 -16.363 1.00 37.11 ATOM 1607 CA GLU 101 -13.412 8.633 -16.441 1.00 23.53 ATOM 1608 HA GLU 101 -12.360 8.745 -16.667 1.00 14.11 ATOM 1609 CB GLU 101 -13.564 8.392 -14.933 1.00 33.21 ATOM 1610 HB1 GLU 101 -13.064 7.467 -14.676 1.00 37.11 ATOM 1611 HB2 GLU 101 -14.616 8.297 -14.699 1.00 62.12 ATOM 1612 CG GLU 101 -12.981 9.507 -14.069 1.00 33.31 ATOM 1613 HG1 GLU 101 -13.564 10.407 -14.221 1.00 37.11 ATOM 1614 HG2 GLU 101 -11.961 9.688 -14.378 1.00 41.11 ATOM 1615 CD GLU 101 -12.985 9.166 -12.588 1.00 13.51 ATOM 1616 OE1 GLU 101 -14.023 9.378 -11.924 1.00 32.43 ATOM 1617 OE2 GLU 101 -11.945 8.685 -12.083 1.00 31.41 ATOM 1618 C GLU 101 -13.942 7.418 -17.222 1.00 1.51 ATOM 1619 O GLU 101 -13.345 6.338 -17.183 1.00 14.24 ATOM 1620 N VAL 102 -15.046 7.599 -17.947 1.00 4.41 ATOM 1621 HN VAL 102 -15.442 8.495 -18.000 1.00 37.11 ATOM 1622 CA VAL 102 -15.674 6.499 -18.690 1.00 72.12 ATOM 1623 HA VAL 102 -15.423 5.572 -18.188 1.00 14.14 ATOM 1624 CB VAL 102 -17.217 6.643 -18.689 1.00 22.53 ATOM 1625 HB VAL 102 -17.469 7.581 -19.168 1.00 72.14 ATOM 1626 CG1 VAL 102 -17.873 5.517 -19.483 1.00 63.30 ATOM 1627 HG11 VAL 102 -17.579 4.562 -19.070 1.00 42.11 ATOM 1628 HG12 VAL 102 -17.559 5.574 -20.516 1.00 13.01 ATOM 1629 HG13 VAL 102 -18.948 5.617 -19.430 1.00 51.42 ATOM 1630 CG2 VAL 102 -17.751 6.683 -17.256 1.00 4.45 ATOM 1631 HG21 VAL 102 -18.828 6.775 -17.274 1.00 54.23 ATOM 1632 HG22 VAL 102 -17.328 7.530 -16.737 1.00 25.32 ATOM 1633 HG23 VAL 102 -17.477 5.772 -16.741 1.00 63.40 ATOM 1634 C VAL 102 -15.159 6.431 -20.138 1.00 44.22 ATOM 1635 O VAL 102 -15.085 7.446 -20.832 1.00 65.35 ATOM 1636 N VAL 103 -14.803 5.228 -20.589 1.00 55.42 ATOM 1637 HN VAL 103 -14.918 4.449 -20.003 1.00 37.11 ATOM 1638 CA VAL 103 -14.251 5.030 -21.937 1.00 2.54 ATOM 1639 HA VAL 103 -13.706 5.925 -22.208 1.00 40.12 ATOM 1640 CB VAL 103 -13.262 3.835 -21.972 1.00 41.05 ATOM 1641 HB VAL 103 -13.816 2.935 -21.740 1.00 44.13 ATOM 1642 CG1 VAL 103 -12.651 3.666 -23.365 1.00 13.44 ATOM 1643 HG11 VAL 103 -12.084 4.551 -23.620 1.00 1.53 ATOM 1644 HG12 VAL 103 -13.438 3.524 -24.091 1.00 13.23 ATOM 1645 HG13 VAL 103 -11.996 2.806 -23.372 1.00 71.33 ATOM 1646 CG2 VAL 103 -12.170 4.003 -20.917 1.00 70.31 ATOM 1647 HG21 VAL 103 -12.620 4.049 -19.935 1.00 74.32 ATOM 1648 HG22 VAL 103 -11.624 4.917 -21.104 1.00 60.13 ATOM 1649 HG23 VAL 103 -11.491 3.163 -20.960 1.00 71.53 ATOM 1650 C VAL 103 -15.362 4.794 -22.976 1.00 21.02 ATOM 1651 O VAL 103 -15.951 3.716 -23.044 1.00 34.14 ATOM 1652 N PHE 104 -15.644 5.808 -23.786 1.00 31.23 ATOM 1653 HN PHE 104 -15.158 6.651 -23.679 1.00 37.11 ATOM 1654 CA PHE 104 -16.665 5.698 -24.835 1.00 25.33 ATOM 1655 HA PHE 104 -17.431 5.018 -24.482 1.00 2.23 ATOM 1656 CB PHE 104 -17.307 7.068 -25.102 1.00 75.44 ATOM 1657 HB1 PHE 104 -17.941 6.997 -25.977 1.00 37.11 ATOM 1658 HB2 PHE 104 -16.527 7.792 -25.293 1.00 10.21 ATOM 1659 CG PHE 104 -18.146 7.585 -23.958 1.00 30.32 ATOM 1660 CD1 PHE 104 -17.553 7.984 -22.770 1.00 32.01 ATOM 1661 HD1 PHE 104 -16.480 7.917 -22.667 1.00 43.34 ATOM 1662 CD2 PHE 104 -19.526 7.678 -24.074 1.00 44.51 ATOM 1663 HD2 PHE 104 -20.003 7.369 -24.993 1.00 40.51 ATOM 1664 CE1 PHE 104 -18.314 8.465 -21.725 1.00 42.40 ATOM 1665 HE1 PHE 104 -17.835 8.772 -20.805 1.00 54.22 ATOM 1666 CE2 PHE 104 -20.293 8.158 -23.029 1.00 51.40 ATOM 1667 HE2 PHE 104 -21.366 8.226 -23.133 1.00 42.14 ATOM 1668 CZ PHE 104 -19.686 8.552 -21.853 1.00 55.02 ATOM 1669 HZ PHE 104 -20.283 8.929 -21.036 1.00 65.44 ATOM 1670 C PHE 104 -16.077 5.132 -26.139 1.00 3.21 ATOM 1671 O PHE 104 -14.864 5.157 -26.355 1.00 33.23 ATOM 1672 N SER 105 -16.951 4.622 -27.001 1.00 3.12 ATOM 1673 HN SER 105 -17.900 4.607 -26.757 1.00 37.11 ATOM 1674 CA SER 105 -16.544 4.070 -28.301 1.00 34.21 ATOM 1675 HA SER 105 -15.547 4.430 -28.522 1.00 12.50 ATOM 1676 CB SER 105 -16.519 2.536 -28.250 1.00 72.35 ATOM 1677 HB1 SER 105 -17.501 2.171 -27.986 1.00 37.11 ATOM 1678 HB2 SER 105 -15.806 2.215 -27.505 1.00 0.33 ATOM 1679 OG SER 105 -16.144 1.982 -29.502 1.00 15.23 ATOM 1680 HG SER 105 -15.628 1.180 -29.353 1.00 73.10 ATOM 1681 C SER 105 -17.492 4.531 -29.413 1.00 11.43 ATOM 1682 O SER 105 -18.702 4.300 -29.344 1.00 53.11 ATOM 1683 N GLY 106 -16.940 5.200 -30.427 1.00 42.21 ATOM 1684 HN GLY 106 -15.973 5.363 -30.421 1.00 37.11 ATOM 1685 CA GLY 106 -17.750 5.687 -31.543 1.00 13.13 ATOM 1686 HA1 GLY 106 -17.763 6.767 -31.511 1.00 37.11 ATOM 1687 HA2 GLY 106 -18.763 5.328 -31.425 1.00 31.23 ATOM 1688 C GLY 106 -17.228 5.244 -32.912 1.00 71.12 ATOM 1689 O GLY 106 -16.436 5.950 -33.545 1.00 51.12 ATOM 1690 N SER 107 -17.685 4.081 -33.381 1.00 70.10 ATOM 1691 HN SER 107 -18.309 3.561 -32.832 1.00 37.11 ATOM 1692 CA SER 107 -17.283 3.556 -34.698 1.00 2.32 ATOM 1693 HA SER 107 -17.378 4.361 -35.416 1.00 24.55 ATOM 1694 CB SER 107 -15.821 3.080 -34.678 1.00 10.53 ATOM 1695 HB1 SER 107 -15.718 2.263 -33.978 1.00 37.11 ATOM 1696 HB2 SER 107 -15.183 3.897 -34.372 1.00 60.32 ATOM 1697 OG SER 107 -15.403 2.635 -35.963 1.00 12.43 ATOM 1698 HG SER 107 -14.597 3.107 -36.218 1.00 41.11 ATOM 1699 C SER 107 -18.192 2.404 -35.139 1.00 32.31 ATOM 1700 O SER 107 -19.080 1.975 -34.398 1.00 24.20 ATOM 1701 N ASN 108 -17.964 1.903 -36.349 1.00 62.23 ATOM 1702 HN ASN 108 -17.233 2.278 -36.885 1.00 37.11 ATOM 1703 CA ASN 108 -18.757 0.800 -36.900 1.00 74.25 ATOM 1704 HA ASN 108 -19.712 0.789 -36.391 1.00 35.10 ATOM 1705 CB ASN 108 -18.993 1.025 -38.400 1.00 14.32 ATOM 1706 HB1 ASN 108 -18.041 1.014 -38.914 1.00 37.11 ATOM 1707 HB2 ASN 108 -19.458 1.990 -38.541 1.00 34.43 ATOM 1708 CG ASN 108 -19.891 -0.030 -39.026 1.00 1.50 ATOM 1709 OD1 ASN 108 -20.770 -0.587 -38.374 1.00 32.44 ATOM 1710 ND2 ASN 108 -19.679 -0.319 -40.293 1.00 2.14 ATOM 1711 HD21 ASN 108 -18.963 0.154 -40.764 1.00 2.15 ATOM 1712 HD22 ASN 108 -20.250 -0.995 -40.711 1.00 64.40 ATOM 1713 C ASN 108 -18.059 -0.551 -36.668 1.00 64.40 ATOM 1714 O ASN 108 -16.839 -0.613 -36.512 1.00 54.54 ATOM 1715 N LEU 109 -18.839 -1.627 -36.644 1.00 22.11 ATOM 1716 HN LEU 109 -19.807 -1.514 -36.767 1.00 37.11 ATOM 1717 CA LEU 109 -18.297 -2.980 -36.453 1.00 32.51 ATOM 1718 HA LEU 109 -17.365 -2.881 -35.911 1.00 3.35 ATOM 1719 CB LEU 109 -19.269 -3.827 -35.603 1.00 30.31 ATOM 1720 HB1 LEU 109 -19.128 -3.552 -34.566 1.00 37.11 ATOM 1721 HB2 LEU 109 -18.996 -4.869 -35.713 1.00 71.52 ATOM 1722 CG LEU 109 -20.772 -3.682 -35.936 1.00 24.22 ATOM 1723 HG LEU 109 -21.017 -2.630 -35.963 1.00 14.10 ATOM 1724 CD1 LEU 109 -21.113 -4.262 -37.305 1.00 61.20 ATOM 1725 HD11 LEU 109 -22.182 -4.210 -37.462 1.00 64.20 ATOM 1726 HD12 LEU 109 -20.793 -5.293 -37.355 1.00 21.35 ATOM 1727 HD13 LEU 109 -20.612 -3.691 -38.073 1.00 41.33 ATOM 1728 CD2 LEU 109 -21.631 -4.326 -34.851 1.00 62.14 ATOM 1729 HD21 LEU 109 -21.407 -5.382 -34.787 1.00 63.03 ATOM 1730 HD22 LEU 109 -22.674 -4.194 -35.095 1.00 63.00 ATOM 1731 HD23 LEU 109 -21.423 -3.856 -33.900 1.00 42.22 ATOM 1732 C LEU 109 -17.994 -3.664 -37.799 1.00 42.11 ATOM 1733 O LEU 109 -18.525 -3.273 -38.840 1.00 23.43 ATOM 1734 N GLU 110 -17.137 -4.686 -37.774 1.00 4.33 ATOM 1735 HN GLU 110 -16.747 -4.960 -36.915 1.00 37.11 ATOM 1736 CA GLU 110 -16.750 -5.401 -38.999 1.00 72.21 ATOM 1737 HA GLU 110 -16.566 -4.660 -39.766 1.00 1.11 ATOM 1738 CB GLU 110 -15.459 -6.199 -38.772 1.00 42.11 ATOM 1739 HB1 GLU 110 -15.240 -6.768 -39.666 1.00 37.11 ATOM 1740 HB2 GLU 110 -15.611 -6.885 -37.950 1.00 45.32 ATOM 1741 CG GLU 110 -14.247 -5.331 -38.453 1.00 12.11 ATOM 1742 HG1 GLU 110 -14.453 -4.762 -37.556 1.00 37.11 ATOM 1743 HG2 GLU 110 -14.082 -4.649 -39.276 1.00 73.30 ATOM 1744 CD GLU 110 -12.981 -6.144 -38.237 1.00 43.42 ATOM 1745 OE1 GLU 110 -12.671 -6.472 -37.072 1.00 74.10 ATOM 1746 OE2 GLU 110 -12.296 -6.463 -39.231 1.00 62.41 ATOM 1747 C GLU 110 -17.859 -6.345 -39.488 1.00 54.40 ATOM 1748 O GLU 110 -18.337 -6.228 -40.618 1.00 11.44 ATOM 1749 N HIS 111 -18.266 -7.281 -38.634 1.00 74.13 ATOM 1750 HN HIS 111 -17.891 -7.294 -37.728 1.00 37.11 ATOM 1751 CA HIS 111 -19.266 -8.287 -39.005 1.00 62.35 ATOM 1752 HA HIS 111 -19.277 -8.362 -40.086 1.00 34.14 ATOM 1753 CB HIS 111 -18.875 -9.653 -38.425 1.00 53.51 ATOM 1754 HB1 HIS 111 -19.587 -10.395 -38.756 1.00 37.11 ATOM 1755 HB2 HIS 111 -18.894 -9.599 -37.345 1.00 31.50 ATOM 1756 CG HIS 111 -17.506 -10.106 -38.840 1.00 11.24 ATOM 1757 ND1 HIS 111 -16.415 -10.081 -37.996 1.00 55.24 ATOM 1758 HD1 HIS 111 -16.422 -9.793 -37.054 1.00 64.44 ATOM 1759 CD2 HIS 111 -17.045 -10.586 -40.021 1.00 61.13 ATOM 1760 HD2 HIS 111 -17.624 -10.739 -40.922 1.00 71.34 ATOM 1761 CE1 HIS 111 -15.351 -10.519 -38.635 1.00 35.31 ATOM 1762 HE1 HIS 111 -14.355 -10.601 -38.223 1.00 24.44 ATOM 1763 NE2 HIS 111 -15.703 -10.834 -39.863 1.00 64.10 ATOM 1764 HE2 HIS 111 -15.153 -11.364 -40.479 1.00 37.11 ATOM 1765 C HIS 111 -20.672 -7.884 -38.528 1.00 32.13 ATOM 1766 O HIS 111 -21.023 -8.068 -37.359 1.00 31.13 ATOM 1767 N HIS 112 -21.459 -7.306 -39.436 1.00 22.33 ATOM 1768 HN HIS 112 -21.095 -7.125 -40.327 1.00 37.11 ATOM 1769 CA HIS 112 -22.844 -6.913 -39.135 1.00 44.03 ATOM 1770 HA HIS 112 -22.820 -6.285 -38.255 1.00 35.34 ATOM 1771 CB HIS 112 -23.433 -6.102 -40.303 1.00 42.24 ATOM 1772 HB1 HIS 112 -22.872 -5.185 -40.412 1.00 37.11 ATOM 1773 HB2 HIS 112 -24.463 -5.859 -40.079 1.00 41.11 ATOM 1774 CG HIS 112 -23.409 -6.821 -41.623 1.00 41.10 ATOM 1775 ND1 HIS 112 -24.320 -7.798 -41.967 1.00 22.12 ATOM 1776 HD1 HIS 112 -25.057 -8.118 -41.403 1.00 21.51 ATOM 1777 CD2 HIS 112 -22.579 -6.700 -42.688 1.00 2.33 ATOM 1778 HD2 HIS 112 -21.737 -6.027 -42.772 1.00 1.44 ATOM 1779 CE1 HIS 112 -24.054 -8.245 -43.176 1.00 43.12 ATOM 1780 HE1 HIS 112 -24.606 -9.011 -43.703 1.00 25.45 ATOM 1781 NE2 HIS 112 -23.004 -7.597 -43.640 1.00 34.50 ATOM 1782 HE2 HIS 112 -22.738 -7.581 -44.584 1.00 37.11 ATOM 1783 C HIS 112 -23.729 -8.138 -38.839 1.00 65.12 ATOM 1784 O HIS 112 -23.734 -9.108 -39.598 1.00 74.44 ATOM 1785 N HIS 113 -24.482 -8.086 -37.741 1.00 12.31 ATOM 1786 HN HIS 113 -24.473 -7.269 -37.196 1.00 37.11 ATOM 1787 CA HIS 113 -25.328 -9.215 -37.329 1.00 34.21 ATOM 1788 HA HIS 113 -24.853 -10.121 -37.683 1.00 21.21 ATOM 1789 CB HIS 113 -25.424 -9.284 -35.797 1.00 22.14 ATOM 1790 HB1 HIS 113 -24.431 -9.421 -35.391 1.00 37.11 ATOM 1791 HB2 HIS 113 -26.034 -10.131 -35.521 1.00 54.14 ATOM 1792 CG HIS 113 -26.023 -8.066 -35.155 1.00 64.10 ATOM 1793 ND1 HIS 113 -25.267 -7.089 -34.543 1.00 24.01 ATOM 1794 HD1 HIS 113 -24.288 -7.082 -34.475 1.00 24.03 ATOM 1795 CD2 HIS 113 -27.315 -7.678 -35.010 1.00 72.31 ATOM 1796 HD2 HIS 113 -28.190 -8.209 -35.363 1.00 42.23 ATOM 1797 CE1 HIS 113 -26.062 -6.159 -34.053 1.00 33.32 ATOM 1798 HE1 HIS 113 -25.748 -5.277 -33.515 1.00 71.15 ATOM 1799 NE2 HIS 113 -27.307 -6.489 -34.324 1.00 22.21 ATOM 1800 HE2 HIS 113 -28.080 -5.889 -34.221 1.00 37.11 ATOM 1801 C HIS 113 -26.736 -9.137 -37.949 1.00 32.12 ATOM 1802 O HIS 113 -27.250 -8.053 -38.225 1.00 73.35 ATOM 1803 N HIS 114 -27.357 -10.297 -38.141 1.00 33.52 ATOM 1804 HN HIS 114 -26.904 -11.125 -37.865 1.00 37.11 ATOM 1805 CA HIS 114 -28.694 -10.389 -38.738 1.00 44.22 ATOM 1806 HA HIS 114 -29.020 -9.388 -38.991 1.00 54.24 ATOM 1807 CB HIS 114 -28.626 -11.230 -40.023 1.00 10.11 ATOM 1808 HB1 HIS 114 -28.299 -12.230 -39.774 1.00 37.11 ATOM 1809 HB2 HIS 114 -27.910 -10.784 -40.697 1.00 12.34 ATOM 1810 CG HIS 114 -29.925 -11.341 -40.757 1.00 60.01 ATOM 1811 ND1 HIS 114 -30.462 -10.308 -41.490 1.00 61.44 ATOM 1812 HD1 HIS 114 -30.066 -9.418 -41.598 1.00 75.25 ATOM 1813 CD2 HIS 114 -30.792 -12.372 -40.879 1.00 40.34 ATOM 1814 HD2 HIS 114 -30.689 -13.353 -40.437 1.00 41.13 ATOM 1815 CE1 HIS 114 -31.597 -10.693 -42.028 1.00 21.02 ATOM 1816 HE1 HIS 114 -32.234 -10.089 -42.659 1.00 74.32 ATOM 1817 NE2 HIS 114 -31.824 -11.941 -41.675 1.00 64.41 ATOM 1818 HE2 HIS 114 -32.699 -12.381 -41.739 1.00 37.11 ATOM 1819 C HIS 114 -29.694 -11.001 -37.737 1.00 20.00 ATOM 1820 O HIS 114 -29.670 -12.206 -37.478 1.00 72.14 ATOM 1821 N HIS 115 -30.564 -10.162 -37.174 1.00 33.00 ATOM 1822 HN HIS 115 -30.581 -9.224 -37.471 1.00 37.11 ATOM 1823 CA HIS 115 -31.502 -10.593 -36.125 1.00 31.21 ATOM 1824 HA HIS 115 -30.918 -11.042 -35.331 1.00 22.05 ATOM 1825 CB HIS 115 -32.247 -9.375 -35.557 1.00 11.24 ATOM 1826 HB1 HIS 115 -32.801 -8.898 -36.353 1.00 37.11 ATOM 1827 HB2 HIS 115 -31.526 -8.676 -35.161 1.00 13.32 ATOM 1828 CG HIS 115 -33.214 -9.704 -34.454 1.00 44.12 ATOM 1829 ND1 HIS 115 -32.880 -9.628 -33.121 1.00 55.53 ATOM 1830 HD1 HIS 115 -32.005 -9.365 -32.765 1.00 52.14 ATOM 1831 CD2 HIS 115 -34.512 -10.099 -34.488 1.00 12.33 ATOM 1832 HD2 HIS 115 -35.110 -10.265 -35.373 1.00 61.22 ATOM 1833 CE1 HIS 115 -33.920 -9.961 -32.385 1.00 52.34 ATOM 1834 HE1 HIS 115 -33.945 -9.992 -31.306 1.00 64.33 ATOM 1835 NE2 HIS 115 -34.923 -10.250 -33.187 1.00 51.20 ATOM 1836 HE2 HIS 115 -35.853 -10.360 -32.899 1.00 37.11 ATOM 1837 C HIS 115 -32.513 -11.637 -36.639 1.00 3.13 ATOM 1838 O HIS 115 -32.580 -12.753 -36.122 1.00 34.13 ATOM 1839 N HIS 116 -33.312 -11.263 -37.639 1.00 35.31 ATOM 1840 HN HIS 116 -33.183 -10.377 -38.048 1.00 37.11 ATOM 1841 HA HIS 116 -34.430 -13.007 -37.503 1.00 12.22 ATOM 1842 CB HIS 116 -35.725 -11.423 -38.133 1.00 44.30 ATOM 1843 HB1 HIS 116 -35.673 -10.550 -38.769 1.00 37.11 ATOM 1844 HB2 HIS 116 -35.941 -11.111 -37.122 1.00 13.32 ATOM 1845 CG HIS 116 -36.868 -12.270 -38.604 1.00 24.42 ATOM 1846 ND1 HIS 116 -37.460 -12.120 -39.838 1.00 21.51 ATOM 1847 HD1 HIS 116 -37.198 -11.466 -40.527 1.00 31.25 ATOM 1848 CD2 HIS 116 -37.529 -13.283 -37.997 1.00 1.42 ATOM 1849 HD2 HIS 116 -37.331 -13.676 -37.008 1.00 32.30 ATOM 1850 CE1 HIS 116 -38.431 -12.997 -39.968 1.00 0.41 ATOM 1851 HE1 HIS 116 -39.070 -13.106 -40.832 1.00 64.12 ATOM 1852 NE2 HIS 116 -38.496 -13.717 -38.867 1.00 61.41 ATOM 1853 HE2 HIS 116 -38.979 -14.570 -38.788 1.00 37.11 ATOM 1854 CA HIS 116 -34.369 -12.148 -38.159 1.00 1.33 ATOM 1855 C HIS 116 -34.055 -12.648 -39.584 1.00 1.32 ATOM 1856 OT1 HIS 116 -33.574 -13.788 -39.730 1.00 37.11 ATOM 1857 OT2 HIS 116 -34.292 -11.896 -40.551 1.00 37.11 ATOM 1858 OH2 TIP3 1 -34.265 -18.965 -40.807 1.00 0.00 WAT1 ATOM 1859 H1 TIP3 1 -34.170 -19.728 -41.412 1.00 0.00 WAT1 ATOM 1860 H2 TIP3 1 -34.479 -18.218 -41.394 1.00 0.00 WAT1 ATOM 1861 OH2 TIP3 2 -29.520 -15.609 -41.098 1.00 0.00 WAT1 ATOM 1862 H1 TIP3 2 -29.874 -15.933 -40.246 1.00 0.00 WAT1 ATOM 1863 H2 TIP3 2 -30.283 -15.667 -41.704 1.00 0.00 WAT1 ATOM 1864 OH2 TIP3 3 -35.787 -16.511 -44.774 1.00 0.00 WAT1 ATOM 1865 H1 TIP3 3 -35.336 -17.084 -45.405 1.00 0.00 WAT1 ATOM 1866 H2 TIP3 3 -35.690 -15.605 -45.161 1.00 0.00 WAT1 ATOM 1867 OH2 TIP3 4 -37.489 -17.427 -41.233 1.00 0.00 WAT1 ATOM 1868 H1 TIP3 4 -37.837 -18.263 -40.847 1.00 0.00 WAT1 ATOM 1869 H2 TIP3 4 -38.115 -16.741 -40.908 1.00 0.00 WAT1 ATOM 1870 OH2 TIP3 5 -39.554 -15.941 -40.356 1.00 0.00 WAT1 ATOM 1871 H1 TIP3 5 -40.307 -15.328 -40.475 1.00 0.00 WAT1 ATOM 1872 H2 TIP3 5 -39.920 -16.659 -39.800 1.00 0.00 WAT1 ATOM 1873 OH2 TIP3 6 -41.722 -14.326 -40.003 1.00 0.00 WAT1 ATOM 1874 H1 TIP3 6 -41.938 -14.147 -39.068 1.00 0.00 WAT1 ATOM 1875 H2 TIP3 6 -42.363 -15.017 -40.268 1.00 0.00 WAT1 ATOM 1876 OH2 TIP3 7 -32.501 -13.810 -43.873 1.00 0.00 WAT1 ATOM 1877 H1 TIP3 7 -32.658 -13.531 -44.800 1.00 0.00 WAT1 ATOM 1878 H2 TIP3 7 -33.401 -13.810 -43.470 1.00 0.00 WAT1 ATOM 1879 OH2 TIP3 8 -30.284 -13.303 -47.251 1.00 0.00 WAT1 ATOM 1880 H1 TIP3 8 -29.965 -13.327 -46.323 1.00 0.00 WAT1 ATOM 1881 H2 TIP3 8 -30.005 -14.148 -47.620 1.00 0.00 WAT1 ATOM 1882 OH2 TIP3 9 -32.130 -15.940 -42.080 1.00 0.00 WAT1 ATOM 1883 H1 TIP3 9 -33.063 -16.184 -41.941 1.00 0.00 WAT1 ATOM 1884 H2 TIP3 9 -32.168 -15.239 -42.760 1.00 0.00 WAT1 ATOM 1885 OH2 TIP3 10 -34.650 -22.260 -39.438 1.00 0.00 WAT1 ATOM 1886 H1 TIP3 10 -34.612 -22.024 -40.383 1.00 0.00 WAT1 ATOM 1887 H2 TIP3 10 -34.671 -21.397 -38.977 1.00 0.00 WAT1 ATOM 1888 OH2 TIP3 11 -38.350 -16.913 -43.803 1.00 0.00 WAT1 ATOM 1889 H1 TIP3 11 -38.151 -17.177 -42.883 1.00 0.00 WAT1 ATOM 1890 H2 TIP3 11 -37.468 -16.792 -44.210 1.00 0.00 WAT1 ATOM 1891 OH2 TIP3 12 -36.776 -11.987 -42.648 1.00 0.00 WAT1 ATOM 1892 H1 TIP3 12 -36.117 -12.711 -42.652 1.00 0.00 WAT1 ATOM 1893 H2 TIP3 12 -37.583 -12.392 -43.039 1.00 0.00 WAT1 ATOM 1894 OH2 TIP3 13 -39.471 -15.886 -37.165 1.00 0.00 WAT1 ATOM 1895 H1 TIP3 13 -39.637 -15.238 -36.458 1.00 0.00 WAT1 ATOM 1896 H2 TIP3 13 -39.409 -16.736 -36.695 1.00 0.00 WAT1 ATOM 1897 OH2 TIP3 14 -42.153 -14.243 -37.216 1.00 0.00 WAT1 ATOM 1898 H1 TIP3 14 -42.517 -15.156 -37.253 1.00 0.00 WAT1 ATOM 1899 H2 TIP3 14 -41.533 -14.266 -36.459 1.00 0.00 WAT1 ATOM 1900 OH2 TIP3 15 -32.400 -22.978 -38.137 1.00 0.00 WAT1 ATOM 1901 H1 TIP3 15 -32.318 -23.935 -38.201 1.00 0.00 WAT1 ATOM 1902 H2 TIP3 15 -33.272 -22.782 -38.560 1.00 0.00 WAT1 ATOM 1903 OH2 TIP3 16 -37.695 -20.892 -36.142 1.00 0.00 WAT1 ATOM 1904 H1 TIP3 16 -38.127 -20.630 -35.311 1.00 0.00 WAT1 ATOM 1905 H2 TIP3 16 -36.738 -20.748 -35.969 1.00 0.00 WAT1 ATOM 1906 OH2 TIP3 17 -33.736 -21.432 -41.980 1.00 0.00 WAT1 ATOM 1907 H1 TIP3 17 -33.558 -22.070 -42.677 1.00 0.00 WAT1 ATOM 1908 H2 TIP3 17 -32.891 -21.390 -41.468 1.00 0.00 WAT1 ATOM 1909 OH2 TIP3 18 -43.147 -16.580 -40.820 1.00 0.00 WAT1 ATOM 1910 H1 TIP3 18 -44.060 -16.706 -41.092 1.00 0.00 WAT1 ATOM 1911 H2 TIP3 18 -42.629 -16.690 -41.657 1.00 0.00 WAT1 ATOM 1912 OH2 TIP3 19 -33.418 -15.719 -37.896 1.00 0.00 WAT1 ATOM 1913 H1 TIP3 19 -32.677 -16.257 -38.234 1.00 0.00 WAT1 ATOM 1914 H2 TIP3 19 -33.522 -15.007 -38.576 1.00 0.00 WAT1 ATOM 1915 OH2 TIP3 20 -40.978 -20.866 -36.508 1.00 0.00 WAT1 ATOM 1916 H1 TIP3 20 -40.491 -21.151 -37.311 1.00 0.00 WAT1 ATOM 1917 H2 TIP3 20 -40.284 -20.549 -35.913 1.00 0.00 WAT1 ATOM 1918 OH2 TIP3 21 -35.034 -16.641 -42.146 1.00 0.00 WAT1 ATOM 1919 H1 TIP3 21 -35.860 -16.899 -41.668 1.00 0.00 WAT1 ATOM 1920 H2 TIP3 21 -35.302 -16.626 -43.093 1.00 0.00 WAT1 ATOM 1921 OH2 TIP3 22 -40.692 -11.116 -42.357 1.00 0.00 WAT1 ATOM 1922 H1 TIP3 22 -41.013 -11.592 -41.580 1.00 0.00 WAT1 ATOM 1923 H2 TIP3 22 -41.077 -10.236 -42.270 1.00 0.00 WAT1 ATOM 1924 OH2 TIP3 23 -39.071 -21.523 -38.385 1.00 0.00 WAT1 ATOM 1925 H1 TIP3 23 -38.479 -21.264 -37.636 1.00 0.00 WAT1 ATOM 1926 H2 TIP3 23 -38.647 -22.300 -38.761 1.00 0.00 WAT1 ATOM 1927 OH2 TIP3 24 -41.135 -11.770 -37.971 1.00 0.00 WAT1 ATOM 1928 H1 TIP3 24 -40.610 -11.551 -37.181 1.00 0.00 WAT1 ATOM 1929 H2 TIP3 24 -41.630 -12.575 -37.716 1.00 0.00 WAT1 ATOM 1930 OH2 TIP3 25 -41.327 -17.764 -39.148 1.00 0.00 WAT1 ATOM 1931 H1 TIP3 25 -41.680 -17.460 -38.291 1.00 0.00 WAT1 ATOM 1932 H2 TIP3 25 -42.001 -17.476 -39.798 1.00 0.00 WAT1 ATOM 1933 OH2 TIP3 26 -39.171 -19.227 -40.004 1.00 0.00 WAT1 ATOM 1934 H1 TIP3 26 -39.983 -18.781 -39.683 1.00 0.00 WAT1 ATOM 1935 H2 TIP3 26 -39.152 -20.068 -39.510 1.00 0.00 WAT1 ATOM 1936 OH2 TIP3 27 -32.647 -21.477 -35.832 1.00 0.00 WAT1 ATOM 1937 H1 TIP3 27 -32.420 -22.204 -35.243 1.00 0.00 WAT1 ATOM 1938 H2 TIP3 27 -32.507 -21.847 -36.733 1.00 0.00 WAT1 ATOM 1939 OH2 TIP3 28 -34.168 -19.803 -38.277 1.00 0.00 WAT1 ATOM 1940 H1 TIP3 28 -34.256 -19.375 -39.166 1.00 0.00 WAT1 ATOM 1941 H2 TIP3 28 -34.834 -19.360 -37.734 1.00 0.00 WAT1 ATOM 1942 OH2 TIP3 29 -39.392 -20.298 -34.030 1.00 0.00 WAT1 ATOM 1943 H1 TIP3 29 -39.783 -21.175 -33.929 1.00 0.00 WAT1 ATOM 1944 H2 TIP3 29 -39.246 -19.994 -33.101 1.00 0.00 WAT1 ATOM 1945 OH2 TIP3 30 -26.964 -14.623 -40.711 1.00 0.00 WAT1 ATOM 1946 H1 TIP3 30 -27.087 -14.758 -39.753 1.00 0.00 WAT1 ATOM 1947 H2 TIP3 30 -27.813 -14.920 -41.101 1.00 0.00 WAT1 ATOM 1948 OH2 TIP3 31 -30.870 -15.583 -34.167 1.00 0.00 WAT1 ATOM 1949 H1 TIP3 31 -30.873 -16.561 -34.105 1.00 0.00 WAT1 ATOM 1950 H2 TIP3 31 -30.582 -15.400 -35.087 1.00 0.00 WAT1 ATOM 1951 OH2 TIP3 32 -31.442 -19.348 -38.451 1.00 0.00 WAT1 ATOM 1952 H1 TIP3 32 -31.058 -19.258 -37.546 1.00 0.00 WAT1 ATOM 1953 H2 TIP3 32 -32.388 -19.550 -38.289 1.00 0.00 WAT1 ATOM 1954 OH2 TIP3 33 -31.587 -21.370 -40.317 1.00 0.00 WAT1 ATOM 1955 H1 TIP3 33 -31.409 -20.525 -39.854 1.00 0.00 WAT1 ATOM 1956 H2 TIP3 33 -31.641 -22.024 -39.598 1.00 0.00 WAT1 ATOM 1957 OH2 TIP3 34 -32.910 -12.836 -46.417 1.00 0.00 WAT1 ATOM 1958 H1 TIP3 34 -32.066 -12.935 -46.907 1.00 0.00 WAT1 ATOM 1959 H2 TIP3 34 -33.043 -11.864 -46.362 1.00 0.00 WAT1 ATOM 1960 OH2 TIP3 35 -41.660 -16.891 -43.033 1.00 0.00 WAT1 ATOM 1961 H1 TIP3 35 -40.924 -17.517 -43.055 1.00 0.00 WAT1 ATOM 1962 H2 TIP3 35 -41.381 -16.176 -43.635 1.00 0.00 WAT1 ATOM 1963 OH2 TIP3 36 -34.784 -13.894 -42.425 1.00 0.00 WAT1 ATOM 1964 H1 TIP3 36 -34.576 -13.436 -41.577 1.00 0.00 WAT1 ATOM 1965 H2 TIP3 36 -34.922 -14.827 -42.164 1.00 0.00 WAT1 ATOM 1966 OH2 TIP3 37 -40.213 -15.272 -44.854 1.00 0.00 WAT1 ATOM 1967 H1 TIP3 37 -40.178 -15.466 -45.796 1.00 0.00 WAT1 ATOM 1968 H2 TIP3 37 -39.507 -15.844 -44.461 1.00 0.00 WAT1 ATOM 1969 OH2 TIP3 38 -38.330 -8.331 -30.137 1.00 0.00 WAT1 ATOM 1970 H1 TIP3 38 -37.526 -8.055 -29.647 1.00 0.00 WAT1 ATOM 1971 H2 TIP3 38 -38.793 -7.501 -30.317 1.00 0.00 WAT1 ATOM 1972 OH2 TIP3 39 -37.960 -15.247 -30.021 1.00 0.00 WAT1 ATOM 1973 H1 TIP3 39 -38.874 -15.547 -29.800 1.00 0.00 WAT1 ATOM 1974 H2 TIP3 39 -38.031 -14.271 -30.057 1.00 0.00 WAT1 ATOM 1975 OH2 TIP3 40 -38.444 -10.616 -28.592 1.00 0.00 WAT1 ATOM 1976 H1 TIP3 40 -38.104 -10.258 -27.751 1.00 0.00 WAT1 ATOM 1977 H2 TIP3 40 -38.617 -9.823 -29.134 1.00 0.00 WAT1 ATOM 1978 OH2 TIP3 41 -32.367 -16.253 -29.329 1.00 0.00 WAT1 ATOM 1979 H1 TIP3 41 -31.408 -16.440 -29.228 1.00 0.00 WAT1 ATOM 1980 H2 TIP3 41 -32.571 -15.666 -28.591 1.00 0.00 WAT1 ATOM 1981 OH2 TIP3 42 -39.020 -19.652 -31.436 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 42 -38.686 -20.142 -30.680 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 42 -38.437 -18.854 -31.483 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 43 -35.135 -20.263 -35.399 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 43 -34.864 -19.414 -35.034 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 43 -34.290 -20.720 -35.597 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 44 -35.642 -15.458 -28.559 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 44 -36.507 -15.505 -29.020 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 44 -35.247 -16.323 -28.710 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 45 -37.518 -17.446 -31.584 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 45 -37.590 -16.648 -31.020 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 45 -37.340 -17.089 -32.479 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 46 -40.374 -16.422 -29.626 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 46 -40.410 -17.243 -30.132 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 46 -41.028 -16.542 -28.929 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 47 -32.001 -9.130 -18.329 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 47 -31.397 -9.506 -17.655 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 47 -32.790 -8.852 -17.814 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 48 -37.673 -12.521 -30.381 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 48 -36.750 -12.636 -30.058 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 48 -38.104 -11.975 -29.679 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 49 -35.594 -15.770 -36.205 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 49 -34.886 -15.950 -36.865 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 49 -35.254 -15.017 -35.694 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 50 -31.101 -10.695 -20.469 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 50 -31.648 -10.228 -19.804 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 50 -30.674 -9.968 -20.976 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 51 -42.362 -17.856 -34.507 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 51 -42.762 -17.910 -33.634 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 51 -42.760 -18.611 -35.003 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 52 -37.435 -16.300 -34.111 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 52 -36.812 -16.204 -34.864 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 52 -38.180 -16.824 -34.483 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 53 -30.060 -12.301 -18.568 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 53 -30.429 -11.787 -19.325 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 53 -30.710 -13.023 -18.433 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 54 -34.933 -7.658 -22.767 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 54 -34.461 -7.789 -23.625 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 54 -34.278 -7.945 -22.085 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 55 -32.499 -18.512 -30.884 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 55 -32.293 -19.152 -30.197 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 55 -32.540 -17.655 -30.408 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 56 -40.147 -13.928 -35.319 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 56 -39.779 -14.095 -34.422 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 56 -39.861 -13.024 -35.525 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 57 -38.559 -13.984 -33.072 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 57 -38.328 -13.756 -32.156 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 57 -38.135 -14.859 -33.219 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 58 -39.298 -11.136 -35.896 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 58 -39.978 -11.019 -35.188 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 58 -38.470 -11.342 -35.406 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 59 -28.355 -12.098 -23.812 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 59 -28.654 -11.661 -24.634 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 59 -27.756 -12.812 -24.126 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 60 -42.920 -16.885 -37.026 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 60 -43.538 -17.607 -37.210 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 60 -42.627 -17.053 -36.107 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 61 -43.396 -19.740 -36.134 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 61 -44.059 -20.385 -36.395 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 61 -42.534 -20.186 -36.331 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 62 -39.637 -17.700 -34.995 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 62 -39.460 -18.628 -34.744 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 62 -40.597 -17.590 -34.833 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 63 -34.621 -13.584 -34.713 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 63 -33.863 -13.398 -35.313 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 63 -34.205 -14.020 -33.934 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 64 -41.502 -11.321 -34.361 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 64 -42.086 -10.647 -33.995 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 64 -42.009 -12.140 -34.293 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 65 -26.524 -11.372 -21.869 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 65 -26.900 -11.600 -20.990 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 65 -27.232 -11.628 -22.502 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 66 -27.463 -12.166 -19.419 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 66 -26.995 -11.578 -18.788 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 66 -28.370 -12.247 -19.045 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 67 -33.741 -11.970 -22.969 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 67 -34.051 -11.695 -22.079 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 67 -32.768 -11.962 -22.894 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 68 -29.083 -17.680 -31.407 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 68 -28.159 -17.359 -31.432 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 68 -29.342 -17.587 -30.474 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 69 -30.940 -12.202 -22.767 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 69 -29.997 -12.143 -23.035 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 69 -30.966 -11.760 -21.889 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 70 -33.039 -14.688 -32.740 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 70 -32.280 -15.058 -33.254 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 70 -33.228 -15.369 -32.076 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 71 -34.467 -11.249 -27.069 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 71 -34.900 -11.254 -26.180 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 71 -33.510 -11.312 -26.870 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 72 -37.026 -8.506 -20.942 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 72 -37.230 -7.829 -20.252 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 72 -36.193 -8.199 -21.335 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 73 -37.016 -9.244 -26.568 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 73 -36.459 -9.993 -26.293 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 73 -37.355 -8.882 -25.721 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 74 -35.685 -11.041 -24.715 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 74 -36.248 -10.400 -24.238 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 74 -35.088 -11.403 -24.020 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 75 -33.397 -8.467 -20.667 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 75 -32.853 -8.420 -19.858 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 75 -33.801 -9.362 -20.629 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 76 -35.239 -12.829 -29.130 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 76 -35.305 -13.774 -28.847 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 76 -35.156 -12.331 -28.287 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 77 -34.541 -11.003 -20.460 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 77 -35.512 -11.093 -20.327 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 77 -34.155 -11.395 -19.642 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 78 -34.270 -9.365 -12.911 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 78 -33.512 -9.977 -13.022 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 78 -34.395 -8.982 -13.784 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 79 -30.084 -12.361 -14.433 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 79 -29.189 -12.430 -14.018 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 79 -30.159 -13.174 -14.971 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 80 -34.129 -8.664 -16.709 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 80 -34.043 -9.554 -16.308 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 80 -35.078 -8.507 -16.740 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 81 -33.216 -10.992 -15.619 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 81 -32.969 -11.145 -14.684 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 81 -32.364 -10.779 -16.054 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 82 -30.602 -10.610 -16.474 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 82 -30.270 -11.182 -17.199 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 82 -30.285 -11.053 -15.658 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 83 -31.935 -10.762 -13.217 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 83 -31.480 -9.955 -12.913 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 83 -31.204 -11.369 -13.476 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 84 -33.645 -12.123 -18.114 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 84 -33.052 -12.899 -18.079 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 84 -33.708 -11.828 -17.185 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 85 -26.695 -12.115 -7.033 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 85 -26.021 -11.478 -6.686 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 85 -27.431 -11.553 -7.298 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 86 -29.894 -8.979 -3.982 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 86 -30.138 -8.464 -3.179 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 86 -29.281 -9.647 -3.656 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 87 -31.913 -14.246 -17.902 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 87 -32.240 -15.118 -18.151 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 87 -31.304 -14.422 -17.149 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 88 -28.380 -9.360 -10.532 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 88 -28.146 -10.243 -10.844 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 88 -29.349 -9.402 -10.392 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 89 -31.816 -6.194 -39.968 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 89 -30.910 -5.843 -39.900 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 89 -32.291 -5.523 -40.491 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 90 -29.712 -7.276 -37.708 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 90 -28.815 -7.544 -37.990 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 90 -29.633 -6.310 -37.556 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 91 -34.706 -10.380 -43.579 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 91 -35.527 -10.871 -43.357 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 91 -34.552 -9.815 -42.798 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 92 -28.758 -0.052 -36.570 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 92 -28.988 0.316 -37.451 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 92 -27.978 0.473 -36.291 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 93 -31.268 -0.778 -39.239 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 93 -31.301 -1.111 -40.157 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 93 -30.475 -0.197 -39.222 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 94 -34.849 -5.428 -36.811 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 94 -35.731 -5.380 -37.233 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 94 -34.480 -4.531 -36.932 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 95 -42.349 -6.584 -41.560 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 95 -42.481 -6.110 -42.384 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 95 -41.431 -6.923 -41.620 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 96 -34.393 -9.317 -41.061 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 96 -35.347 -9.104 -40.963 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 96 -34.346 -10.292 -40.872 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 97 -38.304 -5.031 -34.883 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 97 -38.588 -5.059 -33.951 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 97 -37.535 -4.422 -34.879 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 98 -37.068 -9.309 -40.810 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 98 -37.432 -8.522 -40.352 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 98 -37.478 -9.279 -41.706 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 99 -33.406 -0.120 -37.609 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 99 -32.652 -0.170 -38.239 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 99 -33.933 0.639 -37.927 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 100 -33.894 -2.800 -37.271 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 100 -34.270 -3.071 -38.145 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 100 -33.849 -1.817 -37.326 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 101 -33.235 2.349 -39.945 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 101 -33.481 3.153 -40.437 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 101 -33.992 2.196 -39.345 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 102 -39.900 -7.765 -41.331 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 102 -39.228 -7.307 -40.784 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 102 -40.231 -8.484 -40.748 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 103 -32.484 -8.775 -39.173 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 103 -33.198 -8.877 -39.839 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 103 -32.148 -7.865 -39.325 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 104 -35.167 2.128 -38.052 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 104 -35.640 2.960 -38.272 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 104 -35.169 2.104 -37.075 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 105 -34.755 -3.849 -39.624 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 105 -34.046 -3.841 -40.303 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 105 -35.253 -4.652 -39.814 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 106 -38.588 -0.423 -37.114 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 106 -38.910 -0.011 -37.923 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 106 -39.352 -0.387 -36.504 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 107 -36.350 -3.091 -34.855 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 107 -35.441 -3.307 -34.560 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 107 -36.271 -2.177 -35.214 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 108 -37.486 -4.987 -37.636 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 108 -37.743 -4.086 -37.877 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 108 -37.890 -5.124 -36.754 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 109 -39.101 -13.047 -43.579 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 109 -39.802 -12.427 -43.298 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 109 -39.583 -13.762 -44.044 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 110 -42.787 -6.948 -36.301 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 110 -43.726 -6.748 -36.290 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 110 -42.584 -7.093 -37.258 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 111 -38.056 -7.202 -39.306 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 111 -37.812 -6.383 -38.825 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 111 -38.395 -7.798 -38.604 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 112 -40.772 -9.589 -39.520 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 112 -40.132 -9.282 -38.838 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 112 -41.120 -10.433 -39.152 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 113 -39.199 -8.893 -37.438 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 113 -39.199 -9.745 -36.950 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 113 -39.522 -8.240 -36.774 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 114 -29.274 6.838 -38.812 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 114 -29.609 7.760 -38.715 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 114 -28.357 6.949 -39.150 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 115 -28.355 5.314 -36.622 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 115 -28.861 5.824 -37.291 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 115 -27.449 5.691 -36.669 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 116 -36.329 -0.481 -35.596 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 116 -35.735 0.247 -35.859 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 116 -37.083 -0.419 -36.231 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 117 -30.809 2.928 -38.922 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 117 -31.649 2.550 -39.272 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 117 -30.612 3.670 -39.531 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 118 -32.179 -6.093 -36.275 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 118 -31.830 -6.427 -37.114 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 118 -33.129 -5.952 -36.450 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 119 -26.675 -3.557 -35.748 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 119 -27.231 -3.471 -34.950 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 119 -26.327 -2.649 -35.898 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 120 -29.685 -8.170 -44.117 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 120 -29.470 -7.932 -43.193 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 120 -29.000 -7.712 -44.644 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 121 -29.038 -4.622 -37.593 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 121 -29.786 -3.982 -37.523 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 121 -28.296 -4.168 -37.156 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 122 -35.809 4.747 -38.784 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 122 -35.279 5.329 -38.203 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 122 -35.343 4.781 -39.643 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 123 -35.955 8.149 -36.920 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 123 -35.124 7.639 -36.976 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 123 -35.664 9.085 -36.877 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 124 -34.077 4.850 -40.981 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 124 -34.306 4.780 -41.915 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 124 -33.516 5.656 -40.930 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 125 -32.442 7.086 -41.020 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 125 -31.609 7.572 -41.037 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 125 -33.129 7.794 -41.106 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 126 -38.450 -9.201 -43.183 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 126 -38.941 -10.014 -43.363 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 126 -39.106 -8.607 -42.773 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 127 -33.369 -10.155 -45.899 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 127 -33.863 -10.279 -45.049 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 127 -33.880 -9.490 -46.372 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 128 -35.339 -14.095 -45.972 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 128 -35.923 -13.334 -45.893 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 128 -34.474 -13.707 -46.226 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 129 -36.271 -1.870 -27.037 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 129 -35.702 -1.689 -26.262 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 129 -36.180 -2.833 -27.181 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 130 -39.458 3.908 -24.679 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 130 -39.990 3.085 -24.582 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 130 -39.786 4.487 -23.964 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 131 -37.365 -5.474 -29.994 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 131 -36.792 -6.204 -29.683 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 131 -37.366 -4.848 -29.247 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 132 -40.583 -2.789 -24.363 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 132 -39.880 -3.216 -23.827 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 132 -41.349 -3.357 -24.238 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 133 -37.267 3.171 -28.391 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 133 -37.805 2.356 -28.392 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 133 -36.710 3.083 -29.179 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 134 -40.763 1.597 -24.151 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 134 -40.610 0.822 -24.738 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 134 -40.997 1.208 -23.303 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 135 -38.785 -2.211 -33.876 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 135 -37.961 -2.457 -34.343 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 135 -38.974 -2.986 -33.306 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 136 -40.948 1.662 -27.510 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 136 -40.919 2.508 -27.044 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 136 -40.781 0.996 -26.810 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 137 -38.667 0.809 -29.005 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 137 -38.677 -0.094 -28.642 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 137 -39.540 1.173 -28.761 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 138 -40.409 -0.480 -25.829 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 138 -40.563 -1.269 -25.257 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 138 -39.830 -0.815 -26.542 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 139 -36.346 1.514 -30.554 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 139 -36.448 1.388 -31.525 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 139 -37.202 1.211 -30.182 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 140 -43.068 0.238 -28.502 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 140 -43.801 0.633 -28.022 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 140 -42.298 0.800 -28.270 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 141 -38.005 4.790 -20.303 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 141 -37.644 4.169 -19.641 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 141 -38.044 5.648 -19.825 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 142 -40.301 10.021 -30.488 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 142 -39.933 9.911 -29.588 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 142 -40.409 9.114 -30.811 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 143 -37.211 -8.845 -23.813 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 143 -36.423 -8.299 -23.620 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 143 -37.681 -8.883 -22.964 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 144 -33.607 -3.237 -34.506 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 144 -33.212 -2.396 -34.207 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 144 -33.598 -3.167 -35.482 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 145 -35.312 -7.073 -34.603 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 145 -36.237 -7.406 -34.570 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 145 -35.283 -6.521 -35.412 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 146 -38.844 -4.319 -32.076 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 146 -39.347 -3.761 -31.443 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 146 -38.293 -4.888 -31.501 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 147 -35.257 -2.431 -20.282 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 147 -35.639 -2.412 -21.165 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 147 -35.278 -3.382 -20.032 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 148 -42.322 -7.350 -38.918 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 148 -42.528 -6.936 -39.782 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 148 -41.934 -8.210 -39.154 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 149 -36.143 -7.602 -28.646 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 149 -35.291 -8.062 -28.810 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 149 -36.492 -8.032 -27.831 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 150 -40.141 -7.209 -35.540 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 150 -39.830 -6.298 -35.394 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 150 -41.114 -7.112 -35.689 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 151 -36.371 -4.629 -27.425 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 151 -35.735 -5.352 -27.512 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 151 -36.681 -4.693 -26.486 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 152 -37.100 -4.737 -24.854 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 152 -37.961 -4.645 -24.408 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 152 -36.472 -4.878 -24.126 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 153 -37.704 -1.463 -31.451 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 153 -38.034 -1.407 -32.367 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 153 -38.500 -1.697 -30.927 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 154 -37.170 3.757 -23.002 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 154 -37.628 3.795 -22.145 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 154 -37.889 3.633 -23.654 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 155 -36.586 1.105 -33.281 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 155 -37.531 1.364 -33.404 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 155 -36.475 0.333 -33.869 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 156 -33.808 -1.385 -18.173 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 156 -34.464 -0.710 -17.900 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 156 -34.222 -1.811 -18.961 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 157 -31.116 -4.144 -32.426 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 157 -32.004 -4.508 -32.567 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 157 -31.256 -3.167 -32.416 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 158 -39.930 -2.481 -30.246 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 158 -40.903 -2.316 -30.311 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 158 -39.702 -2.197 -29.340 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 159 -39.831 5.320 -22.293 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 159 -40.650 5.591 -21.857 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 159 -39.222 5.105 -21.549 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 160 -34.778 1.890 -35.307 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 160 -34.204 2.685 -35.258 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 160 -35.335 1.946 -34.505 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 161 -33.640 1.339 -29.974 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 161 -34.566 1.596 -30.185 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 161 -33.142 2.169 -30.034 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 162 -36.249 -5.331 -22.142 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 162 -35.958 -5.196 -21.211 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 162 -35.816 -6.170 -22.403 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 163 -41.774 7.613 -29.582 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 163 -42.036 8.257 -28.909 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 163 -41.245 6.948 -29.083 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 164 -38.898 -4.421 -22.771 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 164 -39.407 -4.457 -21.928 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 164 -38.006 -4.734 -22.517 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 165 -33.959 -5.623 -30.367 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 165 -33.762 -5.712 -31.330 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 165 -33.628 -6.442 -29.981 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 166 -37.785 -8.303 -34.400 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 166 -38.057 -8.898 -33.685 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 166 -38.625 -7.917 -34.725 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 167 -37.942 6.545 -37.995 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 167 -37.504 5.764 -38.368 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 167 -37.205 7.144 -37.766 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 168 -35.451 5.904 -18.309 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 168 -34.744 5.906 -17.629 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 168 -35.921 5.060 -18.158 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 169 -39.191 1.547 -33.884 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 169 -39.792 2.298 -33.907 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 169 -39.678 0.835 -34.348 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 170 -42.590 -1.911 -30.078 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 170 -43.472 -2.261 -30.232 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 170 -42.744 -1.097 -29.542 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 171 -40.520 -0.550 -35.090 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 171 -39.913 -1.205 -34.666 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 171 -41.399 -0.819 -34.797 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 172 -31.090 -0.992 -18.327 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 172 -31.099 -0.031 -18.358 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 172 -32.037 -1.239 -18.263 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 173 -32.961 -0.449 -34.756 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 173 -33.608 0.239 -34.544 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 173 -32.867 -0.394 -35.726 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 174 -38.864 -1.770 -27.729 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 174 -39.097 -2.604 -27.296 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 174 -37.895 -1.669 -27.545 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 175 -39.828 -4.606 -20.239 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 175 -39.684 -5.389 -19.692 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 175 -39.622 -3.858 -19.645 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 176 -39.070 -2.735 -18.274 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 176 -39.546 -1.963 -17.918 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 176 -38.145 -2.591 -17.992 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 177 -42.084 7.446 -32.306 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 177 -42.791 6.809 -32.435 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 177 -41.983 7.498 -31.328 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 178 -31.459 -1.475 -32.537 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 178 -31.791 -1.062 -33.357 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 178 -30.573 -1.075 -32.408 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 179 -33.620 -5.575 -33.044 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 179 -33.602 -4.784 -33.627 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 179 -34.151 -6.231 -33.551 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 180 -37.998 7.042 -18.684 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 180 -37.047 6.874 -18.523 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 180 -38.358 7.242 -17.789 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 181 -34.683 4.459 -23.690 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 181 -35.540 4.031 -23.449 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 181 -34.014 3.887 -23.296 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 182 -33.955 -7.775 -25.335 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 182 -33.640 -8.223 -26.126 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 182 -33.875 -6.821 -25.549 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 183 -31.693 -11.609 -27.015 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 183 -30.812 -11.215 -26.843 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 183 -31.771 -12.314 -26.337 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 184 -28.952 -11.181 -26.400 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 184 -28.707 -11.987 -26.908 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 184 -28.136 -10.638 -26.407 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 185 -37.099 -12.356 -34.723 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 185 -36.218 -12.791 -34.741 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 185 -37.623 -12.907 -34.101 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 186 -33.943 -9.205 -28.802 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 186 -33.232 -9.730 -29.205 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 186 -34.347 -9.819 -28.152 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 187 -37.552 -10.216 -31.954 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 187 -37.877 -9.541 -31.318 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 187 -37.743 -11.070 -31.513 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 188 -38.556 8.413 -35.895 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 188 -37.596 8.352 -36.082 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 188 -38.959 7.816 -36.550 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 189 -37.247 -11.019 -19.961 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 189 -38.127 -11.131 -19.600 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 189 -37.248 -10.104 -20.323 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 190 -39.408 1.122 -10.955 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 190 -38.732 0.565 -11.413 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 190 -39.947 0.489 -10.477 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 191 -31.609 1.194 -9.442 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 191 -32.150 0.799 -10.152 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 191 -30.891 1.667 -9.927 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 192 -27.011 -6.418 -6.172 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 192 -26.841 -6.100 -5.258 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 192 -26.185 -6.912 -6.409 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 193 -36.802 -5.342 -15.646 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 193 -36.104 -5.118 -16.305 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 193 -37.601 -5.480 -16.186 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 194 -30.871 -7.641 -1.799 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 194 -31.461 -7.955 -1.105 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 194 -30.208 -7.090 -1.318 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 195 -37.233 3.213 -15.301 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 195 -36.764 2.983 -14.469 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 195 -37.734 4.032 -15.077 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 196 -30.951 -8.665 -9.953 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 196 -31.825 -8.952 -9.613 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 196 -31.133 -8.424 -10.887 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 197 -38.094 3.463 -11.403 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 197 -38.361 3.985 -10.644 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 197 -38.594 2.619 -11.303 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 198 -31.705 -6.789 -6.974 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 198 -30.812 -7.159 -6.820 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 198 -32.224 -7.094 -6.197 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 199 -35.971 2.629 -12.877 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 199 -35.670 1.873 -12.327 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 199 -36.706 3.025 -12.352 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 200 -35.040 0.586 -11.219 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 200 -34.103 0.628 -11.503 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 200 -35.070 -0.204 -10.622 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 201 -39.116 -2.976 -15.244 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 201 -39.418 -2.100 -15.551 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 201 -38.238 -3.078 -15.651 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 202 -36.670 -2.338 -16.762 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 202 -36.074 -3.061 -17.090 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 202 -36.211 -1.513 -17.020 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 203 -29.763 -2.999 -7.212 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 203 -29.974 -2.066 -7.429 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 203 -29.004 -2.934 -6.595 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 204 -32.457 0.412 -12.050 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 204 -31.512 0.450 -12.243 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 204 -32.772 -0.388 -12.542 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 205 -33.373 -2.960 -15.942 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 205 -33.371 -2.299 -16.660 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 205 -33.957 -3.670 -16.279 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 206 -33.457 5.224 -16.374 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 206 -32.744 5.890 -16.253 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 206 -33.486 4.752 -15.520 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 207 -33.668 3.155 -14.245 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 207 -33.022 2.803 -13.618 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 207 -34.526 3.086 -13.766 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 208 -37.434 -6.609 -19.035 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 208 -36.629 -6.045 -19.137 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 208 -37.943 -6.175 -18.326 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 209 -39.166 -0.490 -16.484 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 209 -38.262 -0.440 -16.148 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 209 -39.541 0.404 -16.300 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 210 -36.138 -1.981 -13.929 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 210 -36.256 -2.870 -13.525 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 210 -36.222 -2.142 -14.884 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 211 -34.417 -2.455 -7.194 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 211 -33.587 -2.984 -7.196 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 211 -35.010 -2.952 -6.629 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 212 -32.352 1.501 -6.726 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 212 -32.097 1.645 -7.664 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 212 -33.219 1.081 -6.781 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 213 -39.091 -5.263 -17.210 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 213 -39.165 -4.361 -17.590 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 213 -39.675 -5.241 -16.438 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 214 -33.431 -1.624 -13.538 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 214 -33.257 -2.167 -14.333 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 214 -34.408 -1.604 -13.476 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 215 -37.464 -0.379 -12.074 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 215 -37.117 -0.972 -12.769 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 215 -36.659 0.008 -11.674 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 216 -36.669 3.452 -17.995 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 216 -37.140 3.429 -17.133 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 216 -35.790 3.076 -17.789 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 217 -34.297 2.544 -16.869 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 217 -33.791 3.339 -17.114 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 217 -34.209 2.504 -15.891 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 218 -39.284 -3.887 -12.684 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 218 -39.364 -3.598 -13.620 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 218 -39.468 -3.093 -12.174 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 219 -36.661 -4.521 -13.053 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 219 -37.611 -4.436 -12.809 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 219 -36.678 -4.975 -13.927 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 220 -34.852 -1.713 -9.823 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 220 -34.882 -2.596 -10.256 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 220 -34.686 -1.916 -8.879 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 221 -38.939 5.292 -14.957 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 221 -39.017 6.100 -15.511 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 221 -39.114 5.602 -14.062 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 222 -35.820 0.306 -17.424 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 222 -36.598 0.732 -17.804 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 222 -35.231 1.056 -17.178 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 223 -39.690 2.080 -15.807 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 223 -40.289 2.806 -15.599 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 223 -38.803 2.431 -15.586 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 224 -29.510 2.212 -10.855 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 224 -28.999 2.443 -11.658 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 224 -28.828 2.163 -10.148 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 225 -30.303 -0.294 -7.500 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 225 -30.643 0.102 -8.331 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 225 -30.863 0.097 -6.810 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 226 -27.754 -2.322 -5.486 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 226 -27.097 -2.888 -5.045 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 226 -28.137 -1.794 -4.754 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 227 -29.251 -7.866 -6.424 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 227 -29.488 -8.377 -5.617 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 227 -28.467 -7.332 -6.145 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 228 -32.247 -4.077 -7.175 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 228 -31.345 -3.684 -7.154 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 228 -32.102 -5.018 -6.951 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 229 -31.898 8.035 -11.787 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 229 -31.841 8.367 -10.861 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 229 -32.675 7.469 -11.785 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 230 -32.327 -7.730 -4.476 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 230 -32.335 -7.346 -3.589 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 230 -31.567 -8.341 -4.462 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 231 -31.920 -5.717 -9.522 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 231 -32.027 -6.304 -8.745 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 231 -32.199 -4.845 -9.196 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 232 -34.913 -4.226 -10.948 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 232 -34.653 -5.125 -10.731 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 232 -35.555 -4.333 -11.684 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 233 -33.672 -9.151 -10.249 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 233 -34.463 -9.546 -9.876 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 233 -33.869 -9.084 -11.210 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 234 -38.242 8.865 -13.839 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 234 -37.314 9.187 -13.935 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 234 -38.635 9.473 -13.208 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 235 -25.471 14.929 -40.767 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 235 -25.161 15.627 -40.157 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 235 -26.437 14.887 -40.619 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 236 -35.341 11.603 -40.402 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 236 -34.558 12.162 -40.258 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 236 -36.060 12.078 -39.949 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 237 -31.508 18.372 -36.842 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 237 -30.949 19.101 -37.196 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 237 -32.248 18.835 -36.403 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 238 -28.281 14.627 -40.827 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 238 -29.135 14.618 -40.336 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 238 -28.504 15.018 -41.679 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 239 -33.488 17.084 -40.418 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 239 -34.194 16.412 -40.322 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 239 -33.947 17.935 -40.282 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 240 -29.884 20.241 -37.996 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 240 -29.137 19.713 -38.352 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 240 -29.498 20.709 -37.220 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 241 -33.167 13.361 -40.070 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 241 -32.302 13.827 -40.055 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 241 -33.823 14.079 -40.195 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 242 -35.286 15.118 -39.677 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 242 -35.223 15.355 -38.726 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 242 -36.047 14.502 -39.716 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 243 -30.982 17.318 -39.428 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 243 -31.801 17.258 -39.976 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 243 -31.296 17.661 -38.573 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 244 -29.188 16.813 -36.686 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 244 -29.430 15.992 -36.217 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 244 -30.031 17.307 -36.750 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 245 -33.981 6.114 -37.223 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 245 -33.791 5.399 -36.587 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 245 -33.146 6.249 -37.688 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 246 -34.444 19.625 -39.705 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 246 -33.535 20.013 -39.660 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 246 -34.939 20.252 -40.245 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 247 -37.320 18.608 -35.847 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 247 -36.575 18.528 -36.483 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 247 -37.917 17.889 -36.088 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 248 -35.079 15.753 -37.020 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 248 -34.954 16.721 -37.128 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 248 -35.500 15.665 -36.139 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 249 -35.027 18.477 -37.282 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 249 -34.470 19.056 -36.724 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 249 -34.913 18.838 -38.190 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 250 -37.285 13.246 -39.095 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 250 -37.361 13.138 -38.120 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 250 -38.180 13.096 -39.417 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 251 -35.731 10.959 -36.509 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 251 -35.167 11.578 -37.030 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 251 -36.584 11.420 -36.442 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 252 -34.304 12.994 -37.531 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 252 -34.443 13.913 -37.242 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 252 -33.732 13.074 -38.315 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 253 -38.652 10.871 -34.690 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 253 -39.519 10.721 -34.268 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 253 -38.487 10.039 -35.188 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 254 -33.419 20.095 -35.690 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 254 -34.141 20.619 -35.261 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 254 -32.878 20.777 -36.152 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 255 -30.867 13.582 -37.148 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 255 -31.048 12.655 -36.887 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 255 -30.786 14.057 -36.298 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 256 -31.629 11.065 -40.464 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 256 -30.754 11.457 -40.698 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 256 -32.208 11.842 -40.326 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 257 -31.032 10.962 -36.330 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 257 -30.101 10.918 -36.031 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 257 -31.070 10.343 -37.076 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 258 -33.786 9.443 -41.214 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 258 -33.017 10.020 -41.040 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 258 -34.560 10.022 -41.039 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 259 -32.137 22.074 -37.137 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 259 -31.209 22.358 -37.139 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 259 -32.298 21.783 -38.060 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 260 -36.348 20.966 -22.865 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 260 -35.760 21.261 -22.141 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 260 -37.138 20.614 -22.403 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 261 -39.834 17.122 -25.082 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 261 -40.093 17.424 -25.963 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 261 -38.910 16.802 -25.198 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 262 -42.592 11.324 -29.719 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 262 -41.772 10.897 -30.046 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 262 -42.850 11.914 -30.437 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 263 -40.539 16.566 -31.097 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 263 -40.151 16.096 -30.324 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 263 -40.782 15.844 -31.716 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 264 -41.630 9.875 -24.818 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 264 -41.840 10.739 -24.383 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 264 -42.091 9.930 -25.681 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 265 -37.846 19.018 -29.359 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 265 -37.541 18.093 -29.262 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 265 -37.222 19.534 -28.802 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 266 -40.240 17.829 -22.450 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 266 -39.616 18.566 -22.285 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 266 -40.203 17.697 -23.422 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 267 -42.692 9.878 -27.432 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 267 -42.719 10.484 -28.211 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 267 -43.618 9.682 -27.255 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 268 -30.662 20.249 -27.985 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 268 -31.612 20.440 -27.954 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 268 -30.436 20.322 -28.934 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 269 -40.191 6.170 -27.867 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 269 -40.253 6.735 -27.072 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 269 -39.354 5.696 -27.752 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 270 -33.399 21.402 -28.201 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 270 -33.238 21.025 -29.096 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 270 -34.347 21.227 -28.041 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 271 -32.969 20.354 -30.695 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 271 -31.988 20.449 -30.711 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 271 -33.149 19.670 -31.373 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 272 -36.189 15.874 -34.466 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 272 -36.054 16.651 -33.894 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 272 -35.795 15.126 -33.956 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 273 -40.611 18.962 -29.654 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 273 -39.650 18.989 -29.468 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 273 -40.737 18.126 -30.141 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 274 -36.970 20.157 -25.370 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 274 -37.535 19.410 -25.136 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 274 -36.663 20.507 -24.496 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 275 -40.160 13.147 -26.588 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 275 -40.345 13.499 -25.694 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 275 -40.770 13.627 -27.161 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 276 -34.641 21.315 -20.689 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 276 -35.062 20.855 -19.936 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 276 -34.019 20.653 -21.059 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 277 -35.825 20.126 -27.846 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 277 -36.230 20.218 -26.955 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 277 -35.101 19.475 -27.715 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 278 -40.792 16.971 -34.633 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 278 -41.009 17.828 -34.250 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 278 -41.262 16.332 -34.071 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 279 -29.065 21.243 -35.596 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 279 -28.304 21.860 -35.480 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 279 -28.713 20.371 -35.295 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 280 -31.036 19.327 -19.783 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 280 -31.019 19.914 -18.994 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 280 -31.867 19.557 -20.233 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 281 -38.633 19.971 -21.622 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 281 -38.260 19.692 -20.747 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 281 -39.345 20.580 -21.390 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 282 -39.994 9.016 -22.649 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 282 -39.251 8.578 -23.102 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 282 -40.594 9.285 -23.375 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 283 -33.517 18.909 -33.002 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 283 -33.369 19.350 -33.856 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 283 -34.478 18.710 -32.998 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 284 -36.930 11.702 -32.712 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 284 -36.250 11.025 -32.811 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 284 -37.588 11.485 -33.412 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 285 -42.260 12.292 -23.856 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 285 -42.764 12.417 -23.020 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 285 -41.825 13.153 -24.003 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 286 -40.843 14.556 -33.007 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 286 -41.014 13.609 -32.811 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 286 -40.103 14.535 -33.645 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 287 -38.056 12.151 -27.996 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 287 -37.233 12.636 -27.781 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 287 -38.751 12.609 -27.464 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 288 -41.045 11.754 -32.542 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 288 -40.584 11.327 -31.793 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 288 -41.233 11.017 -33.154 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 289 -38.005 12.898 -36.433 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 289 -38.291 13.735 -36.009 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 289 -38.349 12.201 -35.835 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 290 -39.566 20.646 -32.775 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 290 -38.745 20.860 -32.285 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 290 -40.285 20.998 -32.200 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 291 -35.116 13.766 -33.102 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 291 -34.490 13.188 -33.592 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 291 -35.838 13.159 -32.839 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 292 -37.674 19.391 -19.170 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 292 -36.959 19.913 -18.747 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 292 -37.665 18.544 -18.689 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 293 -37.096 20.522 -31.520 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 293 -37.434 20.030 -30.740 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 293 -36.763 19.826 -32.115 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 294 -42.178 14.609 -19.856 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 294 -41.532 14.714 -20.583 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 294 -42.492 15.518 -19.690 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 295 -35.435 20.551 -18.129 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 295 -34.828 21.268 -17.873 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 295 -34.925 19.727 -17.945 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 296 -34.833 21.997 -31.833 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 296 -34.201 21.418 -31.351 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 296 -35.716 21.677 -31.547 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 297 -41.134 21.404 -30.710 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 297 -41.429 21.976 -29.998 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 297 -41.035 20.521 -30.285 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 298 -38.714 22.227 -26.159 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 298 -38.131 22.981 -26.226 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 298 -38.123 21.482 -25.964 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 299 -35.254 21.696 -34.527 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 299 -35.218 21.869 -33.560 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 299 -36.222 21.635 -34.723 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 300 -33.468 22.547 -18.495 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 300 -33.833 22.338 -19.381 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 300 -33.503 23.508 -18.444 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 301 -30.380 23.456 -34.473 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 301 -30.116 22.539 -34.696 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 301 -31.365 23.435 -34.490 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 302 -39.667 9.919 -27.766 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 302 -40.497 10.336 -27.475 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 302 -39.024 10.661 -27.801 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 303 -39.143 15.208 -29.208 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 303 -38.297 15.651 -29.004 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 303 -38.878 14.403 -29.702 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 304 -40.818 9.292 -33.904 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 304 -41.326 8.626 -33.386 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 304 -40.267 8.759 -34.501 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 305 -30.255 20.438 -30.739 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 305 -29.771 21.292 -30.854 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 305 -29.720 19.804 -31.223 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 306 -37.564 17.213 -17.361 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 306 -37.664 17.715 -16.545 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 306 -36.813 16.605 -17.178 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 307 -33.048 23.291 -34.849 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 307 -33.930 22.909 -34.671 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 307 -32.881 23.073 -35.788 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 308 -41.798 17.386 -20.088 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 308 -41.432 17.711 -20.929 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 308 -41.015 17.133 -19.568 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 309 -37.870 21.139 -34.891 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 309 -37.890 20.265 -35.325 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 309 -38.630 21.117 -34.274 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 310 -38.721 18.051 -32.498 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 310 -39.361 17.531 -31.968 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 310 -39.168 18.914 -32.635 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 311 -40.709 14.579 -24.177 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 311 -40.586 15.497 -24.491 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 311 -40.488 14.623 -23.222 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 312 -36.234 18.466 -33.308 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 312 -37.083 18.166 -32.895 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 312 -36.491 18.701 -34.227 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 313 -34.821 16.277 -19.578 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 313 -35.278 15.966 -20.389 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 313 -33.890 15.968 -19.689 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 314 -43.195 12.530 -21.327 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 314 -43.127 13.314 -20.749 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 314 -42.631 11.865 -20.893 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 315 -39.986 7.997 -25.845 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 315 -40.669 8.542 -25.395 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 315 -39.692 8.560 -26.595 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 316 -40.068 15.276 -21.545 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 316 -39.652 15.357 -20.663 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 316 -40.141 16.205 -21.858 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 317 -33.495 13.616 -17.584 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 317 -33.029 14.243 -18.180 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 317 -33.088 12.764 -17.771 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 318 -38.386 7.019 -23.921 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 318 -38.918 6.391 -23.391 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 318 -38.974 7.254 -24.677 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 319 -41.129 10.809 -20.547 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 319 -40.899 10.767 -21.489 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 319 -40.907 9.918 -20.212 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 320 -35.975 10.518 -16.821 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 320 -35.981 9.843 -17.503 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 320 -36.854 10.958 -16.912 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 321 -40.156 8.287 -19.969 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 321 -39.344 7.838 -19.650 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 321 -40.006 8.401 -20.934 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 322 -40.631 9.483 -17.538 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 322 -40.613 8.979 -18.381 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 322 -41.399 10.061 -17.623 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 323 -26.876 23.289 -29.319 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 323 -26.286 23.675 -28.662 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 323 -27.751 23.241 -28.854 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 324 -29.708 21.383 -25.711 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 324 -29.859 20.868 -26.537 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 324 -30.610 21.530 -25.360 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 325 -29.566 20.349 -15.861 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 325 -30.005 20.569 -16.708 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 325 -30.242 20.574 -15.183 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 326 -32.513 21.395 -25.418 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 326 -32.805 21.469 -26.347 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 326 -33.296 21.616 -24.906 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 327 -33.803 11.744 -34.585 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 327 -32.944 11.579 -35.004 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 327 -34.451 11.402 -35.229 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 328 -38.111 13.101 -30.642 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 328 -37.771 12.548 -31.378 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 328 -38.151 12.489 -29.882 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 329 -31.671 23.470 -29.073 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 329 -31.984 23.670 -29.982 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 329 -32.363 22.896 -28.704 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 330 -37.866 5.088 -26.569 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 330 -38.491 4.614 -25.973 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 330 -37.628 4.415 -27.253 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 331 -38.819 15.083 -34.927 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 331 -39.423 15.861 -34.912 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 331 -37.940 15.457 -34.712 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 332 -32.756 23.756 -31.617 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 332 -32.598 23.988 -32.539 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 332 -33.576 23.223 -31.645 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 333 -31.107 21.274 -17.908 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 333 -32.003 21.669 -17.961 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 333 -30.502 22.031 -18.086 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 334 -35.336 15.592 -17.012 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 334 -35.260 15.872 -17.950 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 334 -34.898 14.715 -16.993 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 335 -31.845 14.082 -14.192 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 335 -32.422 14.846 -14.406 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 335 -30.971 14.359 -14.493 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 336 -29.245 23.205 -18.370 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 336 -28.813 24.061 -18.418 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 336 -28.509 22.572 -18.211 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 337 -31.657 17.082 -17.462 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 337 -31.863 16.425 -18.172 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 337 -30.697 17.245 -17.565 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 338 -39.006 7.733 -16.196 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 338 -38.694 8.154 -15.359 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 338 -39.662 8.370 -16.551 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 339 -40.379 12.779 -18.754 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 339 -41.078 13.432 -18.954 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 339 -40.515 12.076 -19.421 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 340 -38.524 11.308 -17.369 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 340 -39.006 12.042 -17.801 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 340 -39.187 10.597 -17.304 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 341 -28.693 13.654 -15.307 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 341 -28.999 13.352 -16.172 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 341 -28.704 14.644 -15.380 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 342 -33.538 19.085 -15.192 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 342 -33.386 18.169 -14.896 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 342 -33.787 18.993 -16.127 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 343 -33.142 16.303 -15.300 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 343 -32.515 16.568 -16.009 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 343 -33.968 16.092 -15.778 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 344 -35.834 10.109 -14.142 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 344 -35.036 10.577 -13.850 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 344 -35.839 10.231 -15.117 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 345 -31.707 20.852 -14.202 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 345 -32.271 21.471 -13.735 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 345 -32.335 20.188 -14.573 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 346 -39.595 16.085 -18.888 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 346 -38.846 16.522 -18.428 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 346 -39.837 15.355 -18.304 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 347 -33.989 18.327 -17.896 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 347 -33.070 17.998 -17.761 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 347 -34.386 17.675 -18.512 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 348 -29.495 13.339 -12.642 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 348 -29.124 13.314 -13.548 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 348 -30.455 13.262 -12.777 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 349 -28.849 16.287 -15.602 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 349 -28.921 16.524 -16.553 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 349 -28.596 17.123 -15.166 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 350 -28.533 10.572 -13.586 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 350 -29.508 10.639 -13.471 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 350 -28.177 10.912 -12.758 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 351 -31.222 10.459 -13.043 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 351 -31.460 9.573 -12.693 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 351 -32.054 10.790 -13.442 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 352 -31.925 9.024 -9.260 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 352 -31.444 9.878 -9.332 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 352 -32.271 9.023 -8.366 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 353 -30.351 11.245 -9.421 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 353 -29.491 11.044 -8.992 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 353 -30.115 11.509 -10.320 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 354 -33.387 11.763 -14.298 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 354 -32.848 12.572 -14.156 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 354 -33.873 11.945 -15.112 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 355 -21.010 -14.570 -42.091 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 355 -20.159 -14.251 -42.451 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 355 -21.276 -13.876 -41.462 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 356 -24.402 -13.762 -41.615 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 356 -25.228 -14.158 -41.254 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 356 -24.083 -14.427 -42.265 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 357 -20.445 -10.435 -44.926 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 357 -20.196 -11.340 -45.201 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 357 -21.118 -10.170 -45.576 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 358 -20.424 -13.141 -45.417 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 358 -19.893 -13.231 -44.596 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 358 -20.124 -13.887 -45.975 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 359 -23.182 -15.304 -43.539 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 359 -22.873 -15.865 -44.283 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 359 -22.373 -15.169 -42.991 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 360 -18.033 -14.717 -39.296 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 360 -18.730 -14.035 -39.207 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 360 -17.290 -14.247 -39.729 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 361 -15.357 -12.986 -47.061 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 361 -14.467 -12.866 -47.474 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 361 -15.232 -12.680 -46.135 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 362 -15.692 -13.566 -40.254 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 362 -15.140 -13.620 -39.439 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 362 -15.143 -13.996 -40.940 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 363 -21.961 -16.449 -45.713 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 363 -22.154 -17.144 -46.348 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 363 -21.119 -16.064 -46.027 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 364 -22.093 -12.474 -40.653 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 364 -22.940 -12.903 -40.912 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 364 -22.084 -11.647 -41.156 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 365 -17.179 -14.810 -47.919 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 365 -16.757 -15.221 -48.681 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 365 -16.481 -14.212 -47.550 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 366 -25.210 -11.903 -39.254 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 366 -24.337 -11.508 -39.124 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 366 -25.442 -11.666 -40.175 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 367 -27.824 -15.317 -38.094 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 367 -27.874 -16.244 -38.428 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 367 -28.665 -15.197 -37.599 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 368 -25.588 -11.600 -44.704 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 368 -24.696 -11.993 -44.851 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 368 -26.200 -12.306 -44.955 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 369 -10.169 -15.571 -41.255 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 369 -10.474 -16.275 -41.843 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 369 -9.280 -15.840 -41.001 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 370 -20.155 -11.363 -51.137 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 370 -20.849 -11.662 -51.732 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 370 -19.347 -11.725 -51.512 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 371 -28.687 -10.839 -46.983 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 371 -29.382 -10.657 -46.320 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 371 -29.041 -11.583 -47.495 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 372 -25.512 -13.997 -37.475 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 372 -25.510 -13.268 -38.138 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 372 -26.326 -14.511 -37.686 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 373 -30.180 -14.746 -36.810 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 373 -31.028 -14.980 -37.221 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 373 -30.075 -13.793 -37.003 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 374 -14.364 -17.190 -38.313 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 374 -15.333 -17.049 -38.310 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 374 -14.135 -17.259 -37.383 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 375 -20.019 -12.778 -38.853 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 375 -20.708 -12.661 -39.541 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 375 -20.521 -12.824 -38.026 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 376 -31.347 -16.762 -39.358 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 376 -31.325 -17.722 -39.146 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 376 -31.778 -16.719 -40.232 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 377 -12.886 -16.750 -40.595 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 377 -12.098 -16.376 -40.187 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 377 -13.442 -17.030 -39.832 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 378 -19.407 -15.499 -46.435 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 378 -18.953 -15.955 -45.719 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 378 -18.692 -15.294 -47.079 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 379 -23.173 -12.948 -45.022 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 379 -22.197 -12.978 -45.135 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 379 -23.377 -13.771 -44.528 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 380 -22.579 -10.716 -46.688 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 380 -21.969 -10.976 -47.399 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 380 -22.829 -11.562 -46.263 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 381 -19.676 -10.468 -42.327 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 381 -19.198 -9.613 -42.307 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 381 -20.038 -10.514 -43.241 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 382 -29.695 -14.235 -32.073 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 382 -29.888 -14.863 -32.802 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 382 -30.455 -13.620 -32.084 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 383 -17.080 -16.804 -37.898 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 383 -17.695 -17.541 -37.970 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 383 -17.471 -16.106 -38.482 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 384 -30.925 -19.321 -35.772 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 384 -31.551 -20.062 -35.672 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 384 -30.889 -18.917 -34.880 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 385 -30.723 -10.439 -45.168 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 385 -30.428 -9.567 -44.809 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 385 -31.648 -10.276 -45.461 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 386 -29.876 -12.976 -44.519 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 386 -30.677 -13.346 -44.106 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 386 -30.101 -12.037 -44.681 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 387 -13.966 -10.911 -42.167 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 387 -13.786 -10.048 -41.743 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 387 -13.086 -11.210 -42.474 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 388 -15.682 -7.034 -42.592 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 388 -16.104 -6.181 -42.806 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 388 -16.388 -7.683 -42.703 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 389 -13.340 -14.529 -35.354 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 389 -14.291 -14.615 -35.576 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 389 -13.196 -15.193 -34.675 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 390 -18.806 -13.274 -43.153 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 390 -17.881 -13.607 -43.158 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 390 -18.743 -12.399 -42.730 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 391 -27.835 -17.621 -39.559 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 391 -27.713 -17.247 -40.441 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 391 -28.336 -18.430 -39.710 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 392 -15.134 -12.201 -44.433 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 392 -14.800 -11.719 -43.653 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 392 -15.582 -12.982 -44.058 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 393 -27.354 -11.969 -35.715 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 393 -28.090 -12.575 -35.861 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 393 -26.675 -12.516 -35.274 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 394 -25.363 -11.255 -41.978 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 394 -25.018 -12.172 -41.891 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 394 -25.574 -11.173 -42.927 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 395 -14.255 -13.653 -37.962 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 395 -13.498 -13.718 -37.360 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 395 -14.989 -14.061 -37.461 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 396 -23.851 -12.038 -21.490 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 396 -23.861 -12.183 -20.517 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 396 -24.740 -11.680 -21.685 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 397 -29.740 -16.660 -28.738 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 397 -29.986 -16.224 -27.891 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 397 -29.071 -16.060 -29.125 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 398 -15.141 -11.786 -25.286 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 398 -15.975 -11.783 -25.769 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 398 -14.587 -11.137 -25.761 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 399 -18.180 -11.489 -30.185 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 399 -17.857 -11.532 -29.272 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 399 -17.428 -11.096 -30.682 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 400 -14.196 -15.168 -21.680 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 400 -14.496 -14.365 -22.148 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 400 -15.002 -15.729 -21.629 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 401 -23.294 -13.307 -29.701 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 401 -23.765 -12.843 -28.993 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 401 -22.500 -12.756 -29.863 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 402 -18.939 -11.861 -23.393 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 402 -19.715 -12.142 -22.873 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 402 -18.196 -11.925 -22.767 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 403 -21.183 -12.616 -21.913 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 403 -21.294 -13.586 -21.961 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 403 -22.100 -12.274 -21.841 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 404 -21.146 -11.507 -30.191 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 404 -20.184 -11.532 -30.026 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 404 -21.217 -11.310 -31.153 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 405 -13.895 -11.054 -33.328 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 405 -13.132 -11.591 -33.631 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 405 -13.481 -10.244 -32.957 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 406 -31.985 -13.424 -25.001 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 406 -32.914 -13.459 -24.723 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 406 -31.514 -13.074 -24.210 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 407 -9.392 -14.550 -19.958 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 407 -10.250 -14.304 -20.388 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 407 -9.656 -15.073 -19.192 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 408 -19.357 -13.677 -18.177 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 408 -20.082 -14.294 -18.362 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 408 -19.814 -12.791 -18.084 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 409 -21.175 -10.996 -32.863 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 409 -20.864 -10.309 -33.481 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 409 -22.012 -11.314 -33.264 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 410 -26.376 -12.163 -30.576 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 410 -26.059 -12.053 -29.651 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 410 -27.340 -12.020 -30.518 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 411 -17.054 -8.004 -36.077 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 411 -16.370 -7.350 -35.825 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 411 -17.293 -8.436 -35.234 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 412 -18.644 -12.114 -32.878 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 412 -18.450 -12.156 -31.922 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 412 -19.582 -11.834 -32.917 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 413 -24.567 -14.455 -22.522 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 413 -24.221 -13.560 -22.313 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 413 -25.144 -14.670 -21.756 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 414 -25.930 -14.340 -20.101 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 414 -25.169 -13.924 -19.643 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 414 -26.641 -13.674 -20.028 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 415 -21.890 -15.308 -22.279 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 415 -22.859 -15.175 -22.364 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 415 -21.621 -15.640 -23.143 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 416 -18.192 -14.181 -20.631 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 416 -17.763 -13.392 -21.033 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 416 -18.472 -13.874 -19.745 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 417 -11.921 -14.006 -20.800 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 417 -12.398 -13.246 -20.456 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 417 -12.634 -14.612 -21.117 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 418 -31.038 -18.228 -33.227 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 418 -30.215 -18.058 -32.710 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 418 -31.709 -18.428 -32.538 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 419 -20.504 -10.404 -20.381 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 419 -20.470 -10.710 -19.443 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 419 -20.641 -11.223 -20.894 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 420 -24.575 -10.548 -31.821 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 420 -25.246 -11.177 -31.479 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 420 -24.086 -10.266 -31.024 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 421 -15.968 -14.874 -36.207 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 421 -16.464 -15.576 -36.681 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 421 -16.666 -14.276 -35.862 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 422 -10.640 -10.729 -31.751 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 422 -10.682 -11.423 -32.437 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 422 -11.378 -10.121 -31.984 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 423 -26.566 -14.082 -24.534 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 423 -26.875 -14.990 -24.613 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 423 -25.791 -14.143 -23.939 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 424 -22.760 -13.709 -37.781 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 424 -22.672 -13.999 -38.696 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 424 -23.685 -13.932 -37.548 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 425 -25.307 -13.587 -34.784 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 425 -25.290 -14.389 -34.245 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 425 -25.289 -13.916 -35.712 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 426 -25.089 -14.452 -31.479 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 426 -24.289 -14.262 -30.942 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 426 -25.638 -13.649 -31.370 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 427 -23.541 -11.625 -34.124 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 427 -24.204 -12.315 -34.356 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 427 -23.946 -11.153 -33.360 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 428 -26.481 -16.723 -31.210 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 428 -25.912 -15.941 -31.422 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 428 -25.864 -17.461 -31.176 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 429 -13.578 -10.052 -26.826 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 429 -13.095 -9.211 -26.936 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 429 -12.927 -10.739 -27.085 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 430 -29.109 -11.708 -31.021 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 430 -28.977 -12.605 -31.385 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 430 -30.047 -11.522 -31.196 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 431 -21.532 -12.088 -35.988 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 431 -22.232 -11.885 -35.330 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 431 -21.963 -12.722 -36.604 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 432 -19.164 -17.302 -17.893 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 432 -19.931 -17.749 -17.517 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 432 -19.481 -16.965 -18.759 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 433 -16.026 -10.471 -31.624 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 433 -15.577 -9.708 -31.209 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 433 -15.329 -10.884 -32.178 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 434 -27.304 -14.364 -17.041 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 434 -26.809 -14.429 -17.871 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 434 -26.929 -13.562 -16.597 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 435 -21.870 -17.436 -15.959 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 435 -22.136 -16.502 -16.149 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 435 -22.596 -17.961 -16.305 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 436 -17.781 -12.968 -35.298 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 436 -18.045 -12.724 -34.375 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 436 -18.616 -12.987 -35.782 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 437 -20.089 -16.103 -20.212 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 437 -19.391 -15.459 -20.454 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 437 -20.813 -15.914 -20.839 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 438 -20.348 -7.251 -33.447 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 438 -19.526 -7.757 -33.467 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 438 -20.244 -6.657 -32.673 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 439 -28.109 -14.877 -29.959 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 439 -27.403 -15.438 -30.342 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 439 -28.682 -14.654 -30.732 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 440 -32.757 -11.677 -29.564 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 440 -33.626 -12.114 -29.419 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 440 -32.308 -11.735 -28.689 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 441 -30.458 -14.868 -26.823 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 441 -30.968 -14.418 -26.120 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 441 -29.686 -14.285 -26.971 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 442 -15.270 -12.373 -16.842 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 442 -15.218 -11.791 -17.612 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 442 -14.341 -12.466 -16.545 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 443 -16.681 -16.318 -21.506 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 443 -17.197 -15.539 -21.209 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 443 -17.292 -17.053 -21.415 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 444 -16.005 -10.296 -28.133 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 444 -16.110 -9.481 -28.635 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 444 -15.139 -10.196 -27.691 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 445 -25.858 -10.777 -17.636 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 445 -26.014 -11.317 -16.823 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 445 -25.532 -9.919 -17.294 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 446 -24.237 -12.579 -18.868 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 446 -23.451 -12.609 -18.266 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 446 -24.825 -11.912 -18.454 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 447 -16.839 -11.978 -21.515 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 447 -16.002 -12.261 -21.947 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 447 -16.599 -11.172 -21.039 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 448 -28.177 -13.494 -27.599 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 448 -27.262 -13.594 -27.302 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 448 -28.180 -13.881 -28.506 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 449 -25.239 -11.523 -28.168 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 449 -24.549 -10.907 -28.505 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 449 -25.649 -11.038 -27.422 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 450 -26.436 -9.891 -26.220 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 450 -26.139 -9.854 -25.278 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 450 -26.333 -8.985 -26.533 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 451 -31.742 -12.396 -31.931 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 451 -32.324 -13.107 -32.275 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 451 -32.133 -12.166 -31.057 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 452 -20.039 -9.947 -35.207 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 452 -20.446 -9.264 -35.762 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 452 -20.432 -10.789 -35.537 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 453 -15.652 -15.832 -8.866 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 453 -15.520 -16.458 -8.118 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 453 -15.036 -16.136 -9.539 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 454 -27.347 -16.357 -6.113 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 454 -27.079 -16.863 -5.318 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 454 -26.881 -16.801 -6.846 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 455 -27.286 -13.859 -5.070 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 455 -27.073 -13.229 -5.796 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 455 -27.356 -14.733 -5.524 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 456 -19.653 -25.232 -1.960 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 456 -18.739 -25.469 -1.684 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 456 -20.196 -25.492 -1.214 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 457 -24.160 -21.478 -10.038 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 457 -23.367 -21.405 -9.462 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 457 -24.042 -22.315 -10.493 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 458 -23.881 -16.267 -3.278 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 458 -24.156 -15.332 -3.401 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 458 -23.711 -16.340 -2.331 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 459 -27.734 -15.144 -14.436 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 459 -27.704 -14.222 -14.079 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 459 -27.463 -15.045 -15.372 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 460 -13.883 -14.829 -3.176 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 460 -14.708 -15.317 -2.950 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 460 -14.151 -13.885 -3.160 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 461 -21.332 -19.118 -10.386 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 461 -21.752 -19.163 -11.279 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 461 -20.505 -18.646 -10.541 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 462 -14.915 -19.959 -5.425 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 462 -14.776 -19.628 -4.515 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 462 -14.336 -20.753 -5.483 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 463 -15.212 -17.495 -6.723 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 463 -14.469 -17.069 -6.236 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 463 -15.235 -18.405 -6.366 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 464 -14.639 -18.640 -2.920 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 464 -14.970 -17.724 -2.902 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 464 -15.288 -19.137 -2.366 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 465 -25.445 -19.084 -10.343 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 465 -25.249 -18.861 -11.273 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 465 -25.072 -19.989 -10.229 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 466 -25.794 -17.511 -8.156 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 466 -25.868 -18.031 -8.992 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 466 -25.744 -16.582 -8.456 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 467 -20.785 -15.597 -3.383 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 467 -21.454 -14.961 -3.718 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 467 -21.057 -16.457 -3.781 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 468 -25.616 -19.530 -6.182 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 468 -26.519 -19.854 -6.132 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 468 -25.657 -18.804 -6.837 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 469 -22.502 -13.890 -4.841 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 469 -22.889 -14.315 -5.637 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 469 -23.122 -13.159 -4.636 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 470 -25.042 -18.374 -13.010 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 470 -25.866 -18.650 -13.425 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 470 -25.121 -17.390 -12.948 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 471 -12.744 -12.499 -15.581 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 471 -12.439 -11.584 -15.775 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 471 -11.983 -12.910 -15.128 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 472 -25.779 -14.503 -8.750 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 472 -26.119 -14.310 -9.653 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 472 -26.121 -13.770 -8.208 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 473 -10.163 -12.147 -2.573 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 473 -10.346 -13.069 -2.872 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 473 -10.549 -11.586 -3.278 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 474 -18.654 -12.169 -0.617 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 474 -19.350 -11.722 -1.148 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 474 -18.148 -11.430 -0.221 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 475 -26.570 -15.532 -1.671 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 475 -27.455 -15.130 -1.802 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 475 -25.954 -14.869 -2.035 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 476 -24.702 -19.188 -2.278 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 476 -25.213 -18.977 -3.078 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 476 -25.287 -18.944 -1.555 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 477 -21.698 -21.349 -8.826 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 477 -21.437 -20.565 -9.357 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 477 -20.958 -21.487 -8.227 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 478 -17.260 -25.857 -0.767 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 478 -16.639 -26.541 -0.506 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 478 -16.783 -25.016 -0.584 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 479 -18.879 -19.711 -3.926 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 479 -18.823 -19.547 -2.974 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 479 -19.721 -20.205 -4.034 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 480 -18.861 -16.617 -1.557 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 480 -19.555 -16.307 -2.175 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 480 -19.138 -17.525 -1.321 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 481 -12.622 -11.902 -1.315 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 481 -13.215 -12.027 -2.081 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 481 -11.744 -12.192 -1.639 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 482 -22.928 -19.915 -5.968 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 482 -23.903 -20.006 -5.872 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 482 -22.817 -19.503 -6.849 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 483 -21.251 -21.054 -4.079 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 483 -21.873 -20.867 -4.815 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 483 -21.181 -22.038 -4.063 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 484 -20.121 -15.941 -14.417 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 484 -20.630 -16.614 -14.906 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 484 -19.317 -15.809 -14.954 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 485 -13.168 -16.402 -5.331 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 485 -13.425 -15.823 -4.587 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 485 -12.279 -16.073 -5.597 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 486 -19.285 -13.270 -3.879 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 486 -19.696 -14.099 -3.568 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 486 -18.402 -13.266 -3.455 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 487 -23.006 -18.365 -8.259 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 487 -22.634 -18.657 -9.115 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 487 -23.947 -18.209 -8.447 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 488 -20.352 -13.338 -15.162 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 488 -20.547 -14.221 -14.783 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 488 -21.107 -13.159 -15.758 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 489 -21.951 -19.423 -1.993 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 489 -21.747 -20.012 -2.752 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 489 -22.929 -19.330 -2.020 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 490 -13.637 -16.609 -0.343 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 490 -14.283 -16.071 0.162 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 490 -13.421 -16.063 -1.107 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 491 -14.742 -13.533 -13.969 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 491 -14.153 -14.267 -13.702 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 491 -14.214 -13.035 -14.621 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 492 -13.194 -16.502 -15.773 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 492 -13.703 -17.294 -15.574 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 492 -13.677 -16.084 -16.496 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 493 -28.692 -14.259 -2.762 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 493 -28.218 -14.015 -3.587 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 493 -29.545 -14.576 -3.066 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 494 -25.502 -15.724 -13.082 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 494 -26.375 -15.642 -13.528 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 494 -24.923 -15.104 -13.579 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 495 -20.912 -23.792 -3.957 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 495 -20.415 -24.199 -3.212 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 495 -21.058 -24.518 -4.566 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 496 -17.452 -19.050 -8.901 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 496 -17.439 -19.492 -8.024 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 496 -16.587 -19.239 -9.273 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 497 -24.296 -13.754 -14.557 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 497 -25.030 -13.273 -15.013 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 497 -24.000 -13.131 -13.871 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 498 -25.172 -13.802 -3.346 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 498 -25.980 -13.858 -3.901 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 498 -24.779 -12.938 -3.592 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 499 -22.488 -10.051 5.130 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 499 -21.559 -10.033 4.882 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 499 -22.931 -10.483 4.364 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 500 -17.004 -13.477 -2.330 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 500 -16.197 -12.938 -2.417 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 500 -17.511 -13.034 -1.612 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 501 -22.708 -14.935 -16.437 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 501 -22.469 -14.101 -16.902 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 501 -23.337 -14.641 -15.744 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 502 -19.439 -19.287 -1.039 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 502 -20.359 -19.294 -1.413 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 502 -19.536 -19.706 -0.176 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 503 -18.166 -15.287 -16.354 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 503 -18.212 -16.170 -16.777 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 503 -18.553 -14.688 -17.024 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 504 -16.252 -16.076 -2.553 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 504 -16.588 -15.153 -2.488 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 504 -16.967 -16.612 -2.160 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 505 -22.333 -18.891 -12.890 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 505 -22.002 -18.357 -13.624 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 505 -23.305 -18.777 -12.930 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 506 -26.339 -17.357 -3.738 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 506 -25.403 -17.080 -3.824 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 506 -26.661 -16.855 -2.961 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 507 -15.893 -23.515 -0.485 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 507 -16.020 -23.115 -1.351 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 507 -15.558 -22.781 0.070 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 508 -22.012 -17.652 -4.677 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 508 -22.790 -17.301 -4.192 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 508 -22.302 -18.533 -4.989 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 509 -15.061 -21.112 0.654 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 509 -14.742 -21.157 1.576 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 509 -14.441 -20.490 0.224 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 510 -29.907 -14.620 -16.083 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 510 -29.555 -15.134 -15.333 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 510 -29.119 -14.460 -16.648 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 511 -26.727 -13.887 -11.325 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 511 -27.076 -13.306 -12.035 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 511 -26.241 -14.581 -11.805 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 512 -14.705 -12.165 -3.228 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 512 -14.974 -11.248 -2.977 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 512 -15.244 -12.354 -4.033 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 513 -13.070 -20.280 2.414 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 513 -12.271 -20.025 2.879 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 513 -12.984 -19.856 1.535 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 514 -12.465 -15.014 -13.570 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 514 -12.566 -15.604 -14.346 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 514 -11.643 -14.521 -13.748 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 515 -9.600 -20.471 -6.895 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 515 -10.076 -20.706 -6.072 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 515 -9.054 -21.239 -7.081 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 516 -10.617 -15.727 -5.806 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 516 -10.182 -16.496 -6.238 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 516 -10.077 -14.955 -6.090 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 517 -10.809 -21.023 -4.497 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 517 -10.253 -21.089 -3.713 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 517 -11.286 -20.163 -4.381 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 518 -13.120 -19.259 -0.155 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 518 -12.965 -19.382 -1.099 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 518 -13.317 -18.294 -0.071 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 519 -17.497 -19.689 -6.274 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 519 -18.047 -19.720 -5.453 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 519 -16.595 -19.920 -5.962 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 520 -13.186 -22.135 -5.419 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 520 -12.321 -21.814 -5.095 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 520 -13.010 -23.031 -5.716 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 521 -23.373 -14.775 -7.278 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 521 -22.898 -14.006 -7.659 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 521 -24.223 -14.795 -7.764 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 522 -20.341 -10.783 -2.302 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 522 -21.305 -10.647 -2.246 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 522 -20.208 -11.178 -3.182 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 523 -15.826 -9.736 -2.932 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 523 -16.231 -9.415 -3.767 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 523 -15.279 -8.975 -2.619 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 524 -14.992 -12.267 0.077 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 524 -15.047 -13.195 0.375 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 524 -14.065 -12.163 -0.216 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 525 -17.994 -14.749 0.291 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 525 -18.396 -13.894 0.034 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 525 -18.358 -15.389 -0.355 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 526 -15.389 -14.896 0.971 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 526 -15.456 -14.889 1.930 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 526 -16.330 -14.892 0.665 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 527 -16.520 -19.788 -1.331 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 527 -17.463 -19.605 -1.188 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 527 -16.264 -20.342 -0.569 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 528 -23.512 -11.013 2.784 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 528 -23.861 -11.716 2.231 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 528 -23.784 -10.190 2.328 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 529 -21.801 1.812 -44.660 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 529 -22.526 2.309 -45.052 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 529 -22.147 0.892 -44.597 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 530 -28.436 -2.450 -40.728 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 530 -28.125 -1.630 -41.162 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 530 -28.074 -2.384 -39.810 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 531 -28.048 0.241 -41.657 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 531 -28.271 1.188 -41.793 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 531 -27.082 0.194 -41.845 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 532 -20.568 -0.655 -42.994 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 532 -20.039 0.161 -42.974 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 532 -19.901 -1.370 -43.033 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 533 -25.843 -5.511 -43.731 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 533 -25.123 -5.130 -44.279 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 533 -26.433 -5.946 -44.378 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 534 -19.969 -10.263 -48.624 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 534 -19.209 -10.783 -48.279 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 534 -20.090 -10.600 -49.538 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 535 -29.198 -5.125 -40.254 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 535 -29.017 -4.228 -40.606 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 535 -29.034 -5.037 -39.287 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 536 -23.250 -0.581 -44.722 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 536 -24.023 -0.972 -45.144 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 536 -23.343 -0.825 -43.776 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 537 -25.497 -1.142 -36.490 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 537 -24.517 -1.059 -36.571 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 537 -25.802 -0.222 -36.358 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 538 -17.343 -4.990 -43.616 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 538 -16.535 -4.605 -44.042 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 538 -17.650 -5.665 -44.255 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 539 -26.701 -6.375 -41.314 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 539 -27.295 -5.730 -40.891 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 539 -26.421 -5.932 -42.152 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 540 -22.837 -0.566 -36.698 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 540 -22.210 -0.521 -37.442 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 540 -22.402 -0.048 -35.987 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 541 -15.432 1.293 -38.390 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 541 -15.304 1.599 -37.474 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 541 -15.300 2.100 -38.931 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 542 -13.403 -1.843 -40.939 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 542 -14.110 -1.771 -40.262 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 542 -13.003 -2.728 -40.779 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 543 -21.716 -2.571 -40.134 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 543 -21.310 -2.201 -39.332 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 543 -21.174 -3.361 -40.336 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 544 -23.038 -1.221 -42.064 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 544 -22.164 -0.887 -42.368 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 544 -22.816 -1.801 -41.301 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 545 -20.295 3.266 -42.702 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 545 -20.909 2.890 -43.359 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 545 -20.347 4.234 -42.850 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 546 -27.501 -1.983 -38.239 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 546 -28.114 -1.426 -37.727 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 546 -26.638 -1.843 -37.805 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 547 -29.066 0.827 -39.099 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 547 -28.646 0.769 -39.981 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 547 -29.536 1.693 -39.112 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 548 -27.488 4.080 -39.105 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 548 -27.129 4.976 -39.269 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 548 -27.872 4.136 -38.218 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 549 -9.429 3.283 -38.676 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 549 -9.427 3.217 -39.634 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 549 -9.450 2.350 -38.372 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 550 -24.896 6.571 -43.151 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 550 -25.668 6.054 -43.406 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 550 -24.715 7.124 -43.918 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 551 -28.633 2.936 -41.290 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 551 -29.339 3.595 -41.400 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 551 -28.109 3.274 -40.530 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 552 -23.580 -4.691 -45.151 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 552 -23.300 -5.083 -46.002 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 552 -22.853 -4.079 -44.919 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 553 -18.861 -2.828 -42.889 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 553 -18.336 -3.597 -43.217 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 553 -18.188 -2.250 -42.457 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 554 -25.317 0.284 -41.972 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 554 -24.871 1.082 -41.675 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 554 -24.613 -0.401 -41.961 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 555 -27.471 -7.033 -45.453 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 555 -27.066 -7.903 -45.678 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 555 -27.624 -6.617 -46.309 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 556 -20.599 -5.727 -45.326 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 556 -21.185 -5.885 -46.096 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 556 -20.765 -4.793 -45.089 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 557 -22.466 -6.200 -47.230 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 557 -21.841 -6.556 -47.905 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 557 -23.085 -6.944 -47.066 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 558 -13.305 9.277 -36.006 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 558 -13.118 9.983 -36.635 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 558 -12.429 9.066 -35.612 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 559 -26.483 1.480 -36.528 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 559 -26.492 1.727 -37.462 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 559 -25.980 2.204 -36.093 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 560 -19.140 1.346 -45.271 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 560 -19.037 1.430 -46.223 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 560 -20.091 1.522 -45.114 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 561 -23.894 -8.366 -46.327 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 561 -24.838 -8.614 -46.415 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 561 -23.409 -9.198 -46.538 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 562 -15.353 -1.418 -39.036 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 562 -15.414 -0.462 -38.794 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 562 -16.236 -1.635 -39.373 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 563 -30.910 -1.993 -41.764 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 563 -30.666 -1.332 -42.425 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 563 -30.048 -2.284 -41.387 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 564 -11.477 -0.962 -39.139 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 564 -11.878 -1.526 -38.467 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 564 -12.043 -1.089 -39.926 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 565 -17.041 -1.012 -41.823 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 565 -17.339 -0.136 -42.144 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 565 -16.090 -1.015 -41.991 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 566 -22.987 5.268 -35.398 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 566 -22.528 5.588 -34.595 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 566 -22.717 5.894 -36.093 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 567 -18.445 1.260 -42.610 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 567 -18.975 2.057 -42.379 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 567 -18.423 1.270 -43.594 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 568 -15.639 5.681 -37.799 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 568 -16.457 6.020 -37.372 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 568 -14.925 5.986 -37.208 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 569 -26.549 6.658 -39.360 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 569 -25.754 6.698 -39.934 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 569 -26.187 6.701 -38.453 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 570 -21.297 -3.133 -44.538 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 570 -21.640 -2.224 -44.609 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 570 -20.465 -3.033 -44.041 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 571 -20.642 -7.588 -48.749 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 571 -20.159 -7.380 -49.553 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 571 -20.442 -8.537 -48.587 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 572 -15.066 -4.153 -44.713 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 572 -14.247 -4.327 -44.205 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 572 -14.847 -3.365 -45.256 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 573 -29.604 -2.296 -35.296 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 573 -30.242 -2.570 -35.982 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 573 -29.321 -1.400 -35.581 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 574 -31.125 -2.886 -37.518 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 574 -31.139 -2.118 -38.129 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 574 -32.069 -3.086 -37.367 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 575 -25.046 -5.252 -37.138 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 575 -25.681 -4.732 -36.596 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 575 -24.736 -4.624 -37.798 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 576 -20.519 6.029 -43.062 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 576 -21.090 6.391 -42.375 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 576 -19.985 6.778 -43.348 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 577 -15.218 3.751 -39.623 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 577 -15.428 4.487 -38.995 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 577 -15.666 4.001 -40.436 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 578 -13.882 -2.374 -36.805 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 578 -14.418 -2.178 -37.600 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 578 -14.099 -1.647 -36.187 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 579 -13.941 -8.413 -35.743 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 579 -13.334 -9.154 -35.851 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 579 -13.507 -7.673 -36.236 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 580 -29.036 -7.767 -41.481 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 580 -29.472 -7.018 -41.034 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 580 -28.085 -7.533 -41.456 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 581 -32.805 -4.025 -41.576 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 581 -32.933 -4.261 -42.503 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 581 -32.147 -3.293 -41.602 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 582 -25.239 3.706 -35.581 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 582 -24.299 3.875 -35.358 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 582 -25.492 4.484 -36.115 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 583 -21.496 0.979 -34.883 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 583 -22.049 1.521 -34.311 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 583 -20.585 1.289 -34.696 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 584 -17.564 6.591 -36.051 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 584 -17.154 6.505 -35.174 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 584 -18.510 6.774 -35.854 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 585 -25.723 6.166 -36.774 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 585 -24.793 6.263 -37.092 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 585 -25.748 6.720 -35.943 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 586 -23.963 9.986 -35.538 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 586 -24.199 10.152 -36.464 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 586 -24.762 9.553 -35.160 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 587 -24.061 6.714 -40.573 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 587 -23.930 7.673 -40.412 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 587 -24.259 6.655 -41.535 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 588 -30.484 5.072 -40.579 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 588 -31.251 5.597 -40.871 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 588 -30.007 5.667 -39.962 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 589 -20.283 -4.617 -41.270 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 589 -19.919 -3.933 -41.866 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 589 -19.493 -5.105 -40.963 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 590 -17.885 -11.978 -47.984 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 590 -18.030 -12.934 -47.981 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 590 -16.969 -11.879 -47.673 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 591 -12.883 -12.775 -48.141 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 591 -12.390 -13.449 -48.613 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 591 -12.271 -12.006 -48.115 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 592 -26.449 -9.456 -46.182 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 592 -27.206 -9.866 -46.662 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 592 -26.120 -10.178 -45.602 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 593 -18.316 -7.152 -45.051 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 593 -19.149 -6.662 -45.259 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 593 -18.167 -7.706 -45.830 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 594 -18.466 -8.052 -42.497 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 594 -18.350 -7.235 -41.971 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 594 -18.468 -7.738 -43.433 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 595 -13.154 3.560 -37.676 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 595 -13.633 3.727 -38.509 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 595 -12.445 4.241 -37.663 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 596 -15.369 -7.938 -33.495 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 596 -16.129 -8.547 -33.586 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 596 -14.766 -8.191 -34.236 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 597 -19.680 -5.730 -31.182 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 597 -19.215 -4.868 -31.271 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 597 -18.952 -6.383 -31.046 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 598 -30.372 -8.376 -32.591 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 598 -30.206 -7.584 -33.146 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 598 -29.549 -8.481 -32.065 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 599 -18.281 -3.369 -31.448 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 599 -17.451 -3.272 -31.927 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 599 -18.490 -2.478 -31.150 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 600 -12.005 -3.739 -31.775 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 600 -12.214 -3.840 -32.713 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 600 -12.325 -2.837 -31.551 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 601 -28.435 -3.908 -33.518 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 601 -28.892 -3.289 -34.139 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 601 -29.071 -4.018 -32.792 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 602 -17.756 -7.598 -31.066 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 602 -17.842 -8.380 -31.628 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 602 -16.812 -7.587 -30.815 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 603 -21.415 -5.962 -29.069 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 603 -20.719 -5.955 -29.763 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 603 -22.163 -5.525 -29.485 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 604 -22.484 -7.994 -27.546 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 604 -22.533 -7.635 -26.650 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 604 -22.040 -7.285 -28.065 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 605 -25.634 -9.506 -23.649 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 605 -24.785 -9.225 -23.290 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 605 -25.995 -10.115 -22.967 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 606 -21.830 6.261 -33.062 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 606 -22.543 6.929 -32.964 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 606 -21.700 5.919 -32.149 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 607 -15.688 -5.715 -35.163 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 607 -15.566 -6.283 -34.377 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 607 -14.852 -5.211 -35.222 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 608 -12.324 -0.717 -33.667 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 608 -13.199 -0.640 -34.110 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 608 -12.545 -0.908 -32.731 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 609 -13.125 -4.533 -35.252 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 609 -13.318 -3.710 -35.758 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 609 -12.875 -5.189 -35.950 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 610 -13.598 -2.448 -27.151 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 610 -13.266 -3.369 -27.181 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 610 -13.010 -2.005 -26.505 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 611 -15.053 -7.967 -30.804 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 611 -14.280 -7.431 -30.526 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 611 -15.071 -7.863 -31.785 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 612 -12.559 -8.925 -32.266 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 612 -12.546 -8.254 -32.982 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 612 -12.596 -8.392 -31.447 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 613 -30.250 -6.188 -34.260 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 613 -30.518 -5.437 -33.695 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 613 -30.883 -6.155 -35.015 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 614 -15.956 -5.249 -23.053 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 614 -16.539 -5.761 -22.448 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 614 -15.590 -5.915 -23.645 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 615 -12.664 -6.623 -30.757 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 615 -12.605 -6.375 -31.709 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 615 -12.090 -5.986 -30.313 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 616 -28.187 -9.115 -31.085 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 616 -27.276 -9.136 -30.777 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 616 -28.494 -10.044 -30.994 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 617 -23.282 -9.980 -29.276 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 617 -22.452 -10.444 -29.519 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 617 -22.983 -9.251 -28.682 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 618 -17.784 -9.345 -33.757 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 618 -17.508 -10.130 -33.245 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 618 -18.585 -9.650 -34.246 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 619 -22.475 -7.544 -35.134 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 619 -21.754 -7.416 -34.472 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 619 -22.002 -7.675 -35.977 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 620 -23.346 1.366 -0.672 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 620 -23.202 1.838 0.178 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 620 -23.200 0.422 -0.447 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 621 -25.423 0.541 1.960 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 621 -25.948 0.038 1.319 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 621 -25.601 1.483 1.735 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 622 -28.550 -1.092 -3.128 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 622 -28.332 -0.131 -3.161 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 622 -29.413 -1.121 -2.702 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 623 -28.381 1.629 -3.232 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 623 -29.268 1.855 -3.589 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 623 -27.769 1.806 -3.984 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 624 -13.638 2.067 -2.127 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 624 -13.650 1.336 -2.789 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 624 -14.455 1.945 -1.626 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 625 -20.597 1.870 -1.003 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 625 -20.576 2.846 -1.106 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 625 -21.532 1.636 -1.167 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 626 -25.421 1.150 -2.546 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 626 -24.760 1.494 -1.912 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 626 -26.224 1.660 -2.359 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 627 -24.728 -1.439 -1.884 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 627 -24.940 -0.533 -2.197 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 627 -23.951 -1.318 -1.306 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 628 -27.544 -0.189 -7.266 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 628 -28.518 -0.143 -7.379 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 628 -27.403 -1.015 -6.763 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 629 -10.256 -1.499 -2.783 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 629 -10.826 -2.195 -3.198 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 629 -10.311 -0.755 -3.400 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 630 -13.942 4.432 -3.481 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 630 -13.820 3.631 -2.928 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 630 -14.858 4.690 -3.320 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 631 -23.804 -6.415 -4.610 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 631 -24.127 -6.973 -5.367 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 631 -24.624 -6.074 -4.202 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 632 -26.644 1.557 -5.287 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 632 -25.918 1.106 -4.837 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 632 -26.796 1.026 -6.095 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 633 -14.599 5.752 -9.225 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 633 -13.631 5.746 -9.068 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 633 -14.977 5.555 -8.359 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 634 -20.240 4.100 1.813 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 634 -20.541 4.048 2.747 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 634 -19.296 3.862 1.859 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 635 -25.746 -0.743 4.349 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 635 -25.212 -0.328 5.045 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 635 -25.678 -0.124 3.594 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 636 -22.570 -1.220 -0.121 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 636 -21.754 -0.882 0.303 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 636 -22.468 -2.203 -0.078 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 637 -26.593 -3.052 -2.962 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 637 -25.815 -2.610 -2.543 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 637 -27.310 -2.393 -2.882 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 638 -16.918 -4.247 -1.272 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 638 -17.331 -3.832 -0.503 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 638 -16.194 -3.631 -1.522 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 639 -16.674 -10.169 -0.343 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 639 -16.050 -10.890 -0.091 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 639 -16.481 -10.009 -1.291 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 640 -29.054 -6.296 -0.258 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 640 -28.560 -5.526 -0.557 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 640 -28.398 -6.815 0.260 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 641 -20.928 -11.509 -5.097 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 641 -20.220 -12.124 -4.797 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 641 -21.657 -12.099 -5.353 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 642 -25.140 -9.281 -0.882 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 642 -25.363 -8.397 -1.237 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 642 -24.706 -9.092 -0.025 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 643 -25.900 9.442 -9.313 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 643 -25.089 9.209 -9.804 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 643 -26.114 8.623 -8.804 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 644 -13.970 3.623 -6.282 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 644 -13.584 3.962 -5.455 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 644 -13.266 3.059 -6.666 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 645 -20.149 -0.215 0.751 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 645 -20.095 0.206 1.641 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 645 -20.184 0.545 0.131 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 646 -13.160 -0.329 -9.000 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 646 -13.893 -0.708 -9.489 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 646 -13.093 -0.891 -8.192 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 647 -13.584 0.214 -4.132 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 647 -12.718 0.237 -4.585 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 647 -13.932 -0.687 -4.331 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 648 -14.929 -2.629 -2.260 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 648 -14.054 -2.637 -1.860 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 648 -14.750 -2.531 -3.225 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 649 -11.800 -3.206 -4.184 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 649 -11.458 -3.636 -4.993 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 649 -12.714 -2.934 -4.427 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 650 -26.280 -5.669 -3.623 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 650 -26.410 -4.721 -3.390 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 650 -26.095 -6.102 -2.759 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 651 -11.797 -9.262 -1.573 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 651 -10.941 -9.030 -1.146 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 651 -12.002 -10.157 -1.230 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 652 -14.351 -6.026 0.144 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 652 -15.116 -5.427 0.141 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 652 -13.643 -5.504 0.574 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 653 -23.967 -11.591 -4.439 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 653 -24.386 -10.982 -5.108 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 653 -23.614 -10.985 -3.757 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 654 -30.910 2.049 -4.328 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 654 -31.297 1.903 -5.215 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 654 -31.584 2.545 -3.857 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 655 -20.700 4.602 -0.862 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 655 -20.616 4.509 0.117 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 655 -20.044 5.272 -1.093 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 656 -18.024 5.599 -3.940 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 656 -17.664 6.484 -4.045 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 656 -18.661 5.514 -4.679 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 657 -11.468 -10.255 -4.160 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 657 -11.868 -9.724 -3.442 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 657 -12.030 -10.075 -4.937 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 658 -25.356 3.246 1.572 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 658 -25.520 4.049 2.073 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 658 -24.386 3.114 1.638 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 659 -22.458 4.785 -3.026 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 659 -23.326 4.765 -2.613 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 659 -21.836 4.667 -2.281 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 660 -22.102 5.861 -5.479 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 660 -21.132 5.913 -5.540 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 660 -22.269 5.555 -4.559 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 661 -16.903 3.318 -2.718 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 661 -17.354 4.095 -3.110 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 661 -16.585 2.807 -3.498 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 662 -15.666 2.038 -4.811 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 662 -15.204 2.621 -5.448 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 662 -15.017 1.338 -4.616 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 663 -27.427 1.922 -9.085 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 663 -26.738 2.488 -8.674 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 663 -27.420 1.111 -8.540 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 664 -23.010 -9.955 -2.448 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 664 -23.899 -9.953 -2.026 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 664 -22.551 -9.190 -2.029 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 665 -19.274 -8.314 -1.584 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 665 -20.208 -8.046 -1.496 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 665 -19.321 -9.215 -1.955 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 666 -14.159 -7.936 -1.804 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 666 -14.175 -7.191 -1.165 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 666 -13.267 -8.328 -1.691 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 667 -17.852 2.399 -0.243 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 667 -17.398 2.765 -1.033 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 667 -18.708 2.086 -0.586 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 668 -18.823 -3.540 3.607 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 668 -18.268 -2.893 3.126 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 668 -18.407 -4.399 3.407 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 669 -17.484 -1.845 1.910 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 669 -17.756 -0.939 2.109 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 669 -18.083 -2.122 1.180 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 670 -22.384 -2.040 5.756 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 670 -22.736 -2.074 4.845 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 670 -22.435 -2.961 6.061 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 671 -19.335 -2.716 0.072 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 671 -19.667 -1.798 0.180 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 671 -20.154 -3.258 0.011 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 672 -20.770 -5.165 2.169 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 672 -21.268 -4.716 1.442 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 672 -20.358 -4.433 2.660 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 673 -23.922 -8.443 6.783 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 673 -23.785 -8.867 7.634 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 673 -23.443 -9.026 6.145 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 674 -27.013 -7.572 1.012 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 674 -26.675 -8.472 0.896 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 674 -26.546 -7.240 1.814 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 675 -21.570 -7.765 1.714 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 675 -20.671 -8.172 1.702 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 675 -21.400 -6.821 1.938 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 676 -24.597 -4.394 1.451 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 676 -23.995 -4.607 0.696 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 676 -25.180 -3.698 1.107 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 677 -19.812 0.960 3.172 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 677 -20.330 1.664 3.614 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 677 -19.843 0.203 3.809 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 678 -21.979 -7.931 -1.018 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 678 -21.804 -8.048 -0.063 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 678 -22.456 -7.066 -1.064 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 679 -15.608 -3.873 1.771 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 679 -16.257 -4.564 2.016 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 679 -16.103 -3.035 1.878 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 680 -20.938 3.222 4.318 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 680 -20.069 3.372 4.760 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 680 -21.591 3.260 5.055 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 681 -26.641 -2.243 2.168 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 681 -26.184 -1.852 2.943 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 681 -27.491 -2.523 2.514 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 682 -18.348 3.425 5.099 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 682 -17.580 3.483 5.674 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 682 -17.975 3.201 4.220 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 683 -22.690 3.070 6.402 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 683 -23.039 3.284 7.270 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 683 -23.058 2.182 6.205 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 684 -23.459 0.514 5.615 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 684 -23.178 0.503 4.677 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 684 -23.070 -0.303 5.988 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 685 -22.888 0.022 2.929 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 685 -23.774 0.137 2.523 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 685 -22.735 -0.947 2.892 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 686 -19.039 -8.472 1.185 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 686 -18.106 -8.443 1.460 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 686 -18.997 -8.426 0.206 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 687 -22.837 -4.790 5.033 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 687 -23.663 -5.270 5.259 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 687 -22.197 -5.491 4.859 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 688 -24.135 -8.630 1.584 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 688 -23.180 -8.386 1.612 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 688 -24.571 -7.938 2.130 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 689 -25.354 -6.576 2.899 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 689 -25.037 -5.739 2.480 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 689 -25.278 -6.407 3.862 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 690 -17.801 2.654 2.478 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 690 -18.440 1.934 2.670 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 690 -17.615 2.559 1.517 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 691 -23.034 -2.780 3.148 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 691 -23.555 -3.162 2.414 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 691 -22.873 -3.543 3.742 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 692 -22.685 2.539 1.710 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 692 -21.863 3.057 1.815 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 692 -22.556 1.764 2.299 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 693 -19.885 -1.242 4.762 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 693 -19.528 -2.107 4.478 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 693 -20.684 -1.470 5.273 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 694 -12.835 -4.043 1.408 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 694 -12.413 -3.176 1.553 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 694 -13.769 -3.905 1.686 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 695 -17.741 -5.677 2.124 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 695 -17.235 -6.443 1.770 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 695 -18.671 -5.919 1.974 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 696 -16.341 -7.778 1.003 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 696 -15.508 -7.377 0.689 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 696 -16.417 -8.611 0.485 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 697 -25.554 -6.577 -1.153 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 697 -25.962 -6.703 -0.277 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 697 -24.689 -6.133 -0.959 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 698 -25.090 -6.301 5.633 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 698 -24.681 -7.115 6.021 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 698 -25.855 -6.133 6.194 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 699 -24.120 17.043 -39.439 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 699 -24.676 17.833 -39.231 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 699 -23.474 17.370 -40.074 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 700 -22.956 10.942 -41.442 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 700 -23.362 11.638 -41.991 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 700 -22.441 11.439 -40.782 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 701 -25.602 19.172 -38.685 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 701 -25.376 19.316 -37.743 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 701 -26.563 18.991 -38.680 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 702 -31.181 24.950 -40.915 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 702 -30.669 25.238 -40.124 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 702 -31.626 25.747 -41.209 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 703 -32.029 20.867 -39.608 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 703 -31.158 20.606 -39.239 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 703 -31.802 21.364 -40.433 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 704 -31.376 22.374 -41.770 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 704 -31.036 22.448 -42.665 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 704 -31.309 23.291 -41.411 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 705 -20.097 6.984 -35.051 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 705 -20.572 6.574 -34.300 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 705 -20.395 7.905 -35.042 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 706 -22.357 13.006 -39.619 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 706 -21.637 13.598 -39.287 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 706 -22.680 13.451 -40.423 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 707 -23.658 13.544 -42.172 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 707 -23.590 14.069 -42.974 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 707 -24.380 13.983 -41.656 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 708 -24.485 19.190 -36.121 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 708 -25.055 19.032 -35.342 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 708 -23.741 19.712 -35.769 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 709 -28.248 18.218 -38.831 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 709 -28.947 17.975 -39.464 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 709 -28.351 17.568 -38.104 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 710 -22.298 14.971 -34.751 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 710 -22.685 15.376 -35.554 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 710 -22.670 14.059 -34.740 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 711 -29.064 11.962 -40.610 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 711 -28.568 11.641 -39.830 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 711 -28.678 12.836 -40.794 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 712 -29.904 25.987 -38.727 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 712 -29.598 25.364 -38.026 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 712 -29.584 26.843 -38.434 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 713 -20.503 16.681 -36.725 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 713 -21.484 16.677 -36.706 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 713 -20.243 16.512 -35.797 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 714 -23.279 16.719 -36.795 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 714 -23.546 16.591 -37.730 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 714 -23.693 17.573 -36.547 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 715 -18.877 18.785 -37.360 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 715 -19.473 18.011 -37.243 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 715 -19.287 19.478 -36.838 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 716 -24.016 11.552 -37.945 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 716 -24.104 12.145 -37.186 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 716 -23.440 12.051 -38.572 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 717 -23.832 9.276 -39.484 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 717 -23.986 9.995 -38.838 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 717 -23.551 9.749 -40.300 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 718 -20.420 14.777 -38.824 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 718 -20.425 15.393 -38.068 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 718 -19.527 14.889 -39.214 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 719 -27.833 10.920 -38.415 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 719 -26.872 10.968 -38.510 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 719 -27.986 11.047 -37.451 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 720 -23.343 6.842 -37.893 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 720 -23.238 7.786 -38.098 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 720 -23.391 6.415 -38.770 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 721 -23.460 12.494 -34.563 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 721 -24.304 12.532 -34.061 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 721 -23.419 11.571 -34.881 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 722 -16.363 9.219 -32.628 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 722 -17.277 9.329 -32.972 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 722 -16.468 9.298 -31.659 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 723 -28.312 11.162 -35.720 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 723 -28.299 11.966 -35.182 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 723 -27.706 10.542 -35.238 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 724 -27.455 4.396 -34.106 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 724 -26.646 3.920 -34.387 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 724 -27.855 4.696 -34.945 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 725 -23.741 8.190 -32.911 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 725 -24.177 8.757 -32.260 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 725 -24.456 7.981 -33.567 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 726 -30.721 14.616 -39.614 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 726 -30.751 14.240 -38.698 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 726 -30.793 15.586 -39.477 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 727 -11.713 5.849 -34.885 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 727 -11.344 5.441 -35.701 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 727 -12.656 6.020 -35.112 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 728 -9.628 7.550 -37.182 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 728 -10.071 7.996 -36.430 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 728 -8.824 8.057 -37.316 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 729 -30.185 9.462 -38.738 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 729 -30.779 9.949 -39.352 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 729 -29.355 9.986 -38.742 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 730 -28.002 18.779 -35.107 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 730 -28.252 18.028 -35.678 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 730 -27.166 18.492 -34.684 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 731 -14.123 13.218 -34.241 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 731 -14.804 13.813 -34.567 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 731 -14.508 12.318 -34.369 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 732 -14.196 6.682 -35.609 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 732 -14.870 6.699 -34.910 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 732 -14.034 7.630 -35.811 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 733 -20.031 25.845 -25.028 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 733 -19.621 26.397 -25.697 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 733 -19.292 25.300 -24.679 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 734 -19.055 17.422 -29.353 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 734 -19.989 17.477 -29.627 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 734 -18.855 18.319 -29.018 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 735 -15.631 24.451 -22.816 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 735 -15.421 23.709 -22.195 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 735 -14.936 25.093 -22.656 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 736 -19.317 20.181 -29.142 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 736 -19.704 20.263 -30.029 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 736 -19.800 20.842 -28.608 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 737 -15.472 21.822 -25.212 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 737 -15.286 22.427 -24.483 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 737 -16.448 21.806 -25.266 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 738 -14.938 22.401 -21.223 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 738 -15.007 21.499 -21.611 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 738 -14.978 22.247 -20.256 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 739 -12.140 15.884 -24.285 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 739 -12.206 15.265 -25.027 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 739 -11.981 15.310 -23.512 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 740 -18.253 21.798 -24.993 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 740 -19.220 21.663 -25.070 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 740 -18.169 22.717 -24.661 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 741 -24.942 19.251 -22.757 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 741 -25.262 20.002 -22.215 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 741 -24.952 19.598 -23.670 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 742 -21.193 21.745 -27.824 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 742 -21.052 21.928 -26.872 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 742 -21.707 20.909 -27.833 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 743 -27.712 20.015 -20.236 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 743 -27.126 20.580 -20.791 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 743 -27.818 20.527 -19.408 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 744 -23.687 22.801 -20.525 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 744 -22.836 23.174 -20.222 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 744 -24.038 22.342 -19.736 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 745 -22.939 21.288 -32.414 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 745 -22.217 20.889 -31.904 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 745 -23.583 21.584 -31.726 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 746 -17.857 15.479 -39.678 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 746 -17.290 15.350 -40.440 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 746 -17.405 16.179 -39.157 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 747 -21.565 9.393 -34.150 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 747 -22.119 9.724 -34.883 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 747 -22.190 8.870 -33.604 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 748 -25.767 11.924 -33.223 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 748 -25.287 11.655 -32.426 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 748 -26.147 11.080 -33.573 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 749 -23.984 11.301 -30.975 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 749 -24.717 10.726 -30.650 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 749 -24.173 12.183 -30.576 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 750 -26.701 17.362 -21.817 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 750 -26.391 17.126 -20.924 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 750 -25.957 17.873 -22.203 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 751 -17.197 19.331 -24.163 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 751 -17.688 20.116 -24.475 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 751 -16.512 19.191 -24.838 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 752 -19.069 9.695 -32.921 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 752 -19.525 10.064 -32.155 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 752 -19.788 9.481 -33.544 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 753 -22.057 19.528 -22.924 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 753 -22.934 19.261 -22.605 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 753 -22.126 19.454 -23.899 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 754 -20.336 19.984 -31.759 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 754 -19.668 19.267 -31.884 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 754 -20.060 20.671 -32.379 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 755 -21.035 23.477 -19.732 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 755 -20.700 24.005 -20.484 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 755 -20.872 22.549 -20.006 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 756 -13.109 13.286 -31.698 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 756 -13.358 13.128 -32.636 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 756 -13.274 14.238 -31.569 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 757 -15.267 21.542 -18.613 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 757 -16.052 20.983 -18.656 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 757 -14.777 21.210 -17.839 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 758 -22.524 24.961 -24.516 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 758 -21.627 25.344 -24.645 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 758 -23.020 25.255 -25.311 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 759 -22.206 22.360 -36.064 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 759 -22.009 22.208 -36.991 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 759 -22.042 21.495 -35.635 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 760 -18.089 24.320 -23.904 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 760 -18.676 24.186 -23.128 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 760 -17.191 24.436 -23.510 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 761 -15.891 17.975 -33.362 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 761 -15.093 17.507 -33.095 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 761 -16.167 17.525 -34.193 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 762 -18.272 18.175 -32.029 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 762 -17.367 18.143 -32.427 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 762 -18.135 17.882 -31.104 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 763 -22.363 17.487 -33.520 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 763 -22.295 16.620 -33.971 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 763 -21.974 17.326 -32.645 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 764 -24.462 22.568 -34.498 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 764 -23.729 22.704 -35.131 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 764 -24.034 22.162 -33.724 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 765 -19.352 16.622 -34.099 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 765 -19.933 16.066 -33.538 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 765 -18.943 17.247 -33.466 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 766 -22.147 19.989 -34.711 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 766 -22.079 19.062 -34.390 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 766 -22.436 20.493 -33.918 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 767 -25.951 9.611 -30.190 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 767 -26.884 9.813 -30.054 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 767 -25.881 8.653 -29.977 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 768 -27.085 23.088 -35.107 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 768 -26.126 22.893 -34.974 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 768 -27.336 23.595 -34.307 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 769 -24.558 22.046 -30.311 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 769 -25.421 22.499 -30.239 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 769 -24.525 21.469 -29.509 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 770 -27.327 21.643 -24.054 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 770 -28.113 21.636 -24.635 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 770 -26.592 21.389 -24.642 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 771 -20.182 21.075 -16.684 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 771 -19.501 20.846 -16.007 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 771 -20.073 22.048 -16.813 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 772 -29.069 16.752 -18.265 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 772 -29.496 16.344 -19.053 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 772 -28.172 17.001 -18.579 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 773 -25.613 17.932 -33.909 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 773 -24.685 17.651 -33.890 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 773 -25.969 17.634 -33.042 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 774 -20.563 21.281 -21.339 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 774 -21.023 20.608 -21.894 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 774 -20.011 20.747 -20.721 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 775 -16.929 16.575 -35.458 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 775 -17.046 16.499 -36.417 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 775 -17.836 16.476 -35.097 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 776 -28.398 22.281 -31.402 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 776 -28.311 23.009 -32.047 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 776 -27.784 22.528 -30.682 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 777 -20.007 23.725 -17.194 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 777 -19.850 24.662 -17.061 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 777 -20.378 23.668 -18.103 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 778 -15.776 17.982 -30.354 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 778 -15.744 18.847 -30.779 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 778 -15.376 18.133 -29.469 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 779 -14.403 18.075 -28.017 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 779 -14.802 17.629 -27.259 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 779 -13.677 17.468 -28.297 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 780 -13.789 17.821 -23.408 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 780 -14.137 18.303 -24.190 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 780 -13.138 17.185 -23.790 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 781 -15.223 19.911 -22.316 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 781 -14.596 19.215 -22.583 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 781 -16.028 19.721 -22.842 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 782 -14.475 15.683 -31.048 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 782 -15.015 16.479 -30.843 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 782 -15.007 14.938 -30.705 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 783 -16.654 17.502 -38.240 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 783 -17.432 18.066 -38.015 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 783 -15.913 17.940 -37.811 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 784 -14.351 18.022 -18.441 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 784 -14.144 17.637 -19.317 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 784 -15.291 18.287 -18.513 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 785 -15.142 10.750 -34.583 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 785 -14.586 10.127 -35.087 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 785 -15.555 10.196 -33.890 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 786 -10.909 8.474 -34.925 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 786 -11.092 7.514 -34.850 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 786 -10.914 8.790 -33.995 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 787 -25.978 21.541 -21.649 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 787 -26.424 21.846 -22.474 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 787 -25.271 22.199 -21.497 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 788 -24.752 20.876 -25.020 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 788 -24.351 21.598 -24.483 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 788 -23.969 20.345 -25.325 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 789 -29.184 23.250 -27.917 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 789 -29.376 22.742 -27.112 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 789 -30.071 23.410 -28.318 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 790 -23.365 22.657 -23.405 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 790 -23.195 23.571 -23.737 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 790 -23.395 22.756 -22.433 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 791 -23.413 25.742 -27.042 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 791 -23.228 24.958 -27.610 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 791 -23.424 26.477 -27.657 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 792 -20.269 23.846 -22.333 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 792 -20.365 22.878 -22.176 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 792 -20.865 24.028 -23.073 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 793 -24.444 20.758 -27.928 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 793 -23.734 20.083 -27.806 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 793 -24.792 20.898 -27.033 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 794 -21.642 18.039 -30.114 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 794 -21.932 18.439 -29.250 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 794 -21.430 18.808 -30.673 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 795 -21.067 21.793 -25.023 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 795 -21.486 20.916 -25.185 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 795 -21.710 22.257 -24.460 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 796 -28.320 24.465 -33.062 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 796 -29.148 24.213 -33.535 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 796 -28.594 25.167 -32.463 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 797 -21.276 11.215 -31.725 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 797 -21.336 10.976 -32.666 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 797 -22.210 11.213 -31.421 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 798 -28.991 24.458 -36.660 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 798 -29.544 24.248 -35.885 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 798 -28.121 24.074 -36.440 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 799 -15.379 16.782 -11.099 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 799 -15.256 15.818 -11.025 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 799 -16.097 16.979 -10.489 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 800 -27.792 14.852 -11.060 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 800 -28.405 14.356 -11.645 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 800 -27.979 14.499 -10.168 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 801 -11.404 10.124 -8.921 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 801 -11.038 10.161 -8.032 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 801 -11.178 9.223 -9.236 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 802 -20.989 12.879 -6.800 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 802 -20.724 11.951 -6.621 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 802 -20.324 13.200 -7.438 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 803 -22.813 7.766 -8.917 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 803 -21.989 7.262 -9.049 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 803 -22.971 8.204 -9.785 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 804 -20.460 16.206 -9.498 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 804 -20.026 15.424 -9.107 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 804 -21.059 15.831 -10.175 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 805 -25.791 11.396 -6.455 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 805 -24.944 11.349 -6.951 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 805 -25.928 12.343 -6.320 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 806 -25.809 13.814 -8.166 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 806 -25.648 13.227 -8.934 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 806 -26.752 14.045 -8.238 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 807 -19.457 5.776 -6.337 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 807 -19.933 6.365 -6.953 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 807 -18.902 5.229 -6.920 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 808 -21.315 18.626 -15.909 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 808 -20.922 18.834 -15.051 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 808 -21.036 19.363 -16.481 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 809 -14.893 16.996 -13.780 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 809 -15.067 17.158 -12.826 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 809 -14.153 16.359 -13.780 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 810 -21.277 18.820 -9.917 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 810 -21.819 18.907 -9.132 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 810 -20.847 17.943 -9.815 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 811 -16.670 14.751 -13.655 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 811 -16.081 14.551 -12.907 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 811 -16.369 15.621 -13.969 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 812 -24.685 14.308 -11.826 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 812 -25.270 15.095 -11.886 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 812 -25.133 13.726 -11.177 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 813 -24.095 7.222 -6.657 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 813 -23.629 7.493 -7.487 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 813 -23.420 6.703 -6.164 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 814 -20.740 10.137 -6.446 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 814 -21.279 9.931 -5.651 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 814 -21.273 9.815 -7.185 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 815 -22.100 15.118 -11.470 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 815 -23.052 14.890 -11.419 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 815 -21.667 14.268 -11.688 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 816 -18.224 12.546 -13.878 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 816 -18.776 12.717 -14.667 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 816 -17.656 13.350 -13.807 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 817 -15.514 11.588 -12.661 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 817 -15.062 10.744 -12.425 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 817 -16.363 11.311 -13.029 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 818 -28.553 13.616 -8.679 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 818 -28.312 12.678 -8.511 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 818 -29.519 13.617 -8.664 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 819 -26.332 12.295 -14.656 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 819 -26.776 11.480 -14.367 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 819 -27.069 12.887 -14.908 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 820 -21.571 12.449 -12.146 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 820 -22.211 11.735 -11.916 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 820 -20.757 12.208 -11.654 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 821 -25.398 12.091 -10.271 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 821 -25.623 11.273 -9.784 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 821 -24.829 11.775 -11.014 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 822 -20.369 6.365 -8.990 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 822 -20.004 7.251 -9.234 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 822 -19.614 5.759 -9.086 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 823 -19.200 13.729 -8.816 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 823 -18.249 13.612 -8.684 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 823 -19.398 13.185 -9.605 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 824 -23.459 12.209 -7.705 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 824 -22.616 12.522 -7.301 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 824 -23.979 13.021 -7.830 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 825 -23.791 17.629 -15.362 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 825 -23.584 17.559 -14.408 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 825 -22.955 17.962 -15.762 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 826 -22.116 20.039 -13.178 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 826 -22.517 19.156 -13.062 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 826 -21.754 20.249 -12.308 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 827 -26.068 16.648 -12.197 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 827 -26.509 17.092 -12.932 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 827 -26.797 16.174 -11.729 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 828 -23.175 17.482 -12.681 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 828 -24.055 17.356 -12.284 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 828 -22.604 16.844 -12.205 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 829 -18.392 20.265 -14.832 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 829 -18.438 20.290 -13.873 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 829 -17.527 19.840 -15.020 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 830 -15.993 19.017 -15.331 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 830 -15.634 18.273 -14.794 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 830 -15.195 19.464 -15.684 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 831 -22.937 21.257 -15.756 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 831 -22.029 21.334 -16.095 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 831 -22.824 20.895 -14.856 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 832 -26.058 18.634 -16.555 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 832 -25.207 18.321 -16.170 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 832 -26.673 18.639 -15.798 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 833 -27.964 18.679 -14.498 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 833 -27.985 19.121 -13.643 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 833 -28.560 19.230 -15.067 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 834 -19.545 8.860 -9.604 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 834 -18.678 9.299 -9.557 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 834 -20.192 9.597 -9.576 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 835 -15.132 13.958 -11.418 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 835 -15.063 13.136 -11.966 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 835 -15.562 13.652 -10.596 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 836 -26.694 17.751 -19.039 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 836 -26.371 18.027 -18.149 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 836 -26.935 18.593 -19.476 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 837 -26.464 7.177 -7.895 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 837 -25.626 7.104 -7.380 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 837 -26.954 6.384 -7.661 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 838 -24.470 21.311 -18.108 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 838 -24.024 21.436 -17.237 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 838 -24.209 20.422 -18.378 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 839 -19.237 20.168 -19.165 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 839 -19.591 20.463 -18.303 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 839 -18.424 19.684 -18.934 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 840 -16.986 18.820 -17.966 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 840 -17.354 17.910 -18.035 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 840 -16.797 18.928 -17.011 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 841 -21.801 10.669 -9.487 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 841 -22.406 11.189 -8.925 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 841 -22.401 10.155 -10.074 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 842 -22.420 9.721 -4.267 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 842 -22.540 10.170 -3.429 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 842 -23.330 9.457 -4.529 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 843 -24.991 9.170 -4.981 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 843 -24.791 8.455 -5.625 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 843 -25.412 9.868 -5.520 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 844 -27.272 21.402 -17.879 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 844 -27.440 20.876 -17.080 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 844 -26.291 21.436 -17.940 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 845 -13.829 20.075 -16.710 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 845 -12.918 20.010 -16.395 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 845 -13.884 19.401 -17.423 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 846 -11.147 16.236 -14.521 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 846 -11.875 15.901 -13.954 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 846 -11.586 16.877 -15.124 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 847 -12.261 17.527 -16.662 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 847 -11.749 17.321 -17.468 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 847 -13.180 17.590 -16.981 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 848 -13.102 14.922 -13.087 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 848 -12.539 14.117 -13.198 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 848 -13.707 14.685 -12.358 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 849 -16.389 12.313 -9.508 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 849 -16.883 11.474 -9.445 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 849 -15.450 12.034 -9.457 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 850 -27.874 10.988 -8.208 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 850 -27.325 10.378 -8.749 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 850 -27.359 11.089 -7.380 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 851 -18.876 12.404 -11.236 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 851 -18.777 12.418 -12.215 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 851 -17.965 12.342 -10.910 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 852 -22.883 23.708 -28.765 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 852 -23.391 23.195 -29.420 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 852 -22.198 23.081 -28.451 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 853 -16.271 -14.484 -43.266 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 853 -15.376 -14.531 -42.852 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 853 -16.533 -15.406 -43.358 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 854 -13.911 -14.677 -41.975 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 854 -13.162 -14.078 -41.771 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 854 -13.625 -15.548 -41.610 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 855 -15.713 -11.140 -35.489 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 855 -15.117 -11.218 -34.718 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 855 -16.371 -11.851 -35.359 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 856 -11.672 -13.280 -41.134 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 856 -11.393 -12.719 -41.891 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 856 -11.059 -14.050 -41.166 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 857 -12.094 -11.135 -39.452 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 857 -11.568 -11.341 -38.673 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 857 -12.035 -11.947 -40.003 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 858 2.336 -10.282 -22.372 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 858 1.652 -10.978 -22.423 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 858 2.302 -9.851 -23.237 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 859 -5.773 -17.102 -23.261 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 859 -6.560 -16.812 -22.748 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 859 -6.089 -17.848 -23.779 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 860 -1.181 -10.013 -24.037 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 860 -2.043 -9.807 -24.447 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 860 -0.527 -9.836 -24.746 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 861 -4.192 -15.131 -22.257 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 861 -4.471 -15.352 -21.362 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 861 -4.588 -15.844 -22.813 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 862 -5.270 -9.002 -21.079 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 862 -5.714 -8.178 -20.770 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 862 -6.008 -9.592 -21.331 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 863 -14.525 -12.668 -22.836 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 863 -13.593 -12.428 -22.838 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 863 -14.835 -12.436 -23.749 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 864 -0.126 -11.548 -22.107 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 864 -0.560 -11.049 -22.844 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 864 -0.683 -12.349 -22.004 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 865 -7.776 -15.884 -21.854 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 865 -8.397 -15.574 -21.170 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 865 -7.599 -15.090 -22.392 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 866 3.832 -9.813 -15.130 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 866 4.150 -8.950 -14.801 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 866 4.614 -10.201 -15.576 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 867 -1.795 -13.761 -21.830 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 867 -2.677 -14.084 -22.118 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 867 -1.234 -14.545 -21.872 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 868 -1.704 -12.807 -19.202 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 868 -1.928 -12.969 -20.138 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 868 -1.008 -13.470 -19.009 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 869 -6.585 -13.631 -22.909 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 869 -6.581 -13.381 -21.962 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 869 -5.683 -13.961 -23.072 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 870 5.290 -13.717 -19.104 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 870 5.479 -14.439 -19.707 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 870 4.408 -13.934 -18.737 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 871 -11.237 -12.709 -24.978 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 871 -10.386 -12.498 -24.524 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 871 -11.566 -13.483 -24.511 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 872 4.882 -8.984 -22.893 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 872 5.852 -9.114 -22.789 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 872 4.488 -9.709 -22.383 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 873 -3.167 -9.146 -19.300 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 873 -3.926 -9.237 -19.914 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 873 -2.525 -8.598 -19.796 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 874 0.242 -14.715 -18.784 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 874 -0.029 -14.658 -17.850 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 874 1.217 -14.680 -18.752 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 875 -11.013 -10.062 -29.091 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 875 -10.785 -10.346 -30.003 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 875 -11.301 -10.890 -28.648 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 876 -11.881 -12.129 -27.525 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 876 -11.571 -12.259 -26.592 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 876 -12.129 -13.014 -27.814 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 877 7.898 -9.389 -19.641 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 877 8.514 -9.525 -18.914 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 877 7.170 -10.039 -19.468 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 878 5.916 -11.059 -18.970 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 878 5.714 -12.014 -19.092 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 878 5.794 -10.910 -18.010 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 879 -7.106 -13.017 -20.290 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 879 -7.951 -13.506 -20.153 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 879 -6.697 -13.000 -19.413 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 880 -7.477 -10.613 -21.679 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 880 -8.156 -10.322 -21.022 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 880 -7.165 -11.472 -21.327 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 881 2.021 -7.300 -21.197 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 881 2.110 -6.351 -20.988 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 881 2.393 -7.385 -22.086 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 882 -8.926 -12.295 -23.570 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 882 -8.149 -12.888 -23.591 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 882 -8.629 -11.539 -23.043 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 883 -9.504 -8.856 -27.171 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 883 -10.022 -9.454 -27.751 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 883 -8.739 -8.598 -27.727 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 884 -6.628 -9.153 -24.226 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 884 -6.859 -9.712 -23.466 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 884 -7.400 -8.553 -24.326 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 885 1.380 -12.852 -16.474 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 885 1.499 -12.257 -15.704 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 885 0.536 -13.317 -16.290 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 886 -6.338 -13.854 -12.048 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 886 -5.984 -14.195 -11.206 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 886 -5.654 -13.211 -12.348 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 887 -1.857 -14.365 -9.568 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 887 -1.364 -14.465 -10.408 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 887 -1.190 -14.548 -8.877 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 888 -6.761 -15.470 -8.417 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 888 -7.420 -14.834 -8.742 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 888 -5.931 -15.198 -8.857 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 889 -7.763 -14.571 -14.315 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 889 -7.585 -15.508 -14.442 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 889 -7.273 -14.342 -13.490 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 890 3.830 -12.514 -8.198 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 890 3.382 -11.947 -7.534 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 890 3.112 -12.794 -8.792 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 891 1.486 -12.778 -9.761 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 891 1.101 -13.314 -9.029 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 891 1.158 -11.865 -9.587 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 892 -0.059 -14.061 -4.757 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 892 0.694 -14.622 -5.053 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 892 0.146 -13.863 -3.817 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 893 -8.824 -12.625 -11.873 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 893 -9.178 -12.762 -10.973 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 893 -7.961 -13.088 -11.858 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 894 0.316 -14.212 -7.739 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 894 -0.110 -13.746 -7.004 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 894 0.938 -14.833 -7.296 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 895 -7.037 -16.899 -6.110 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 895 -6.795 -16.402 -6.923 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 895 -7.850 -17.376 -6.360 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 896 -0.059 -13.986 -11.695 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 896 0.462 -14.347 -12.423 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 896 0.610 -13.617 -11.080 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 897 -5.755 -12.984 -3.564 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 897 -6.364 -12.367 -3.104 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 897 -6.340 -13.709 -3.872 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 898 -12.154 -18.725 -4.042 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 898 -12.291 -18.014 -4.691 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 898 -12.983 -18.727 -3.518 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 899 -1.913 -10.430 -7.183 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 899 -2.044 -10.840 -8.069 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 899 -1.144 -9.833 -7.310 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 900 -1.941 -11.604 -9.622 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 900 -2.109 -12.545 -9.407 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 900 -1.998 -11.571 -10.602 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 901 -5.550 -9.653 -11.697 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 901 -5.950 -9.462 -10.839 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 901 -6.317 -9.868 -12.278 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 902 1.572 -11.105 -14.388 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 902 1.867 -11.272 -13.465 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 902 2.329 -10.612 -14.791 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 903 -1.685 -11.868 -12.310 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 903 -1.449 -11.565 -13.217 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 903 -1.134 -12.671 -12.175 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 904 -7.474 -14.947 -4.331 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 904 -7.805 -15.431 -3.565 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 904 -7.206 -15.657 -4.966 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 905 3.550 -18.278 -4.553 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 905 4.010 -17.496 -4.924 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 905 4.260 -18.880 -4.316 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 906 0.017 -11.368 -5.433 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 906 -0.839 -11.092 -5.809 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 906 -0.166 -12.237 -5.029 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 907 5.025 -14.418 -2.331 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 907 4.119 -14.597 -2.029 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 907 5.385 -13.811 -1.650 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 908 -4.638 -14.197 -9.587 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 908 -3.690 -14.412 -9.712 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 908 -4.634 -13.505 -8.894 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 909 -4.122 -12.511 -7.389 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 909 -3.647 -11.708 -7.121 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 909 -3.632 -13.235 -6.951 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 910 -4.395 -12.050 -12.627 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 910 -4.776 -11.204 -12.311 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 910 -3.442 -11.976 -12.417 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 911 1.864 -15.631 -5.921 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 911 2.831 -15.722 -5.809 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 911 1.499 -16.469 -5.553 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 912 -8.940 -13.623 -6.280 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 912 -8.399 -13.974 -5.540 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 912 -8.427 -12.859 -6.607 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 913 -1.028 -17.161 -16.466 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 913 -1.040 -17.390 -17.404 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 913 -1.025 -18.010 -16.013 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 914 -4.882 -12.862 -17.243 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 914 -4.298 -13.056 -16.478 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 914 -4.270 -12.666 -17.961 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 915 -3.207 -13.116 -15.041 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 915 -3.768 -12.925 -14.264 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 915 -2.536 -12.405 -15.030 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 916 -6.942 -12.215 -15.470 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 916 -7.261 -13.106 -15.226 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 916 -6.262 -12.384 -16.154 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 917 2.261 -10.721 -6.820 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 917 1.484 -11.013 -6.287 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 917 2.351 -9.770 -6.605 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 918 -7.520 -10.622 -13.343 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 918 -7.229 -11.145 -14.129 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 918 -8.093 -11.241 -12.843 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 919 -9.302 -8.524 -0.737 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 919 -9.139 -7.572 -0.587 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 919 -8.468 -8.957 -0.455 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 920 -3.153 -12.746 -4.032 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 920 -2.965 -13.293 -4.817 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 920 -4.131 -12.848 -3.896 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 921 -2.041 -10.763 -17.433 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 921 -2.563 -10.137 -17.985 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 921 -1.918 -11.547 -18.017 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 922 0.550 -13.044 -2.234 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 922 1.295 -13.445 -1.731 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 922 0.753 -12.087 -2.234 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 923 2.922 -14.472 -17.939 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 923 3.178 -15.101 -17.256 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 923 2.458 -13.753 -17.442 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 924 -0.857 -14.438 -16.189 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 924 -1.695 -14.112 -15.807 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 924 -0.952 -15.418 -16.172 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 925 0.875 -17.852 -4.670 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 925 1.823 -18.098 -4.553 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 925 0.392 -18.608 -4.329 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 926 -10.309 -13.327 -14.154 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 926 -9.503 -13.792 -14.453 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 926 -10.081 -13.020 -13.251 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 927 5.434 -8.239 -7.135 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 927 5.998 -8.871 -7.628 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 927 5.885 -8.144 -6.273 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 928 4.515 -17.700 3.166 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 928 4.099 -16.839 2.929 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 928 3.813 -18.341 3.041 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 929 4.728 -16.011 -5.642 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 929 5.409 -15.707 -5.007 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 929 5.072 -15.731 -6.504 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 930 -9.424 -17.789 -7.163 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 930 -9.400 -17.693 -8.121 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 930 -9.540 -18.759 -7.021 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 931 7.148 -17.976 3.718 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 931 7.084 -18.561 4.476 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 931 6.208 -17.807 3.464 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 932 -11.100 -14.541 -3.369 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 932 -10.869 -15.027 -4.187 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 932 -12.050 -14.719 -3.244 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 933 -7.168 -11.800 -7.685 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 933 -7.212 -10.829 -7.857 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 933 -6.227 -11.965 -7.500 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 934 -6.917 -9.124 -8.304 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 934 -7.239 -8.612 -9.075 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 934 -6.433 -8.467 -7.769 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 935 -8.758 -13.471 -9.165 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 935 -8.165 -12.778 -8.799 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 935 -9.288 -13.750 -8.402 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 936 -1.168 -11.195 -14.909 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 936 -0.195 -11.069 -14.855 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 936 -1.388 -10.983 -15.850 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 937 5.804 -12.770 -0.286 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 937 6.352 -11.971 -0.114 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 937 6.205 -13.453 0.288 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 938 -2.026 -12.005 3.775 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 938 -2.653 -12.322 3.094 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 938 -1.180 -12.430 3.538 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 939 0.646 -8.023 0.270 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 939 1.231 -7.746 -0.443 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 939 0.697 -7.290 0.920 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 940 -1.598 -9.382 3.195 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 940 -1.962 -10.230 3.538 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 940 -0.978 -9.661 2.491 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 941 3.359 -12.627 2.162 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 941 4.276 -12.639 2.535 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 941 3.291 -11.764 1.740 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 942 3.136 -15.457 2.411 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 942 2.254 -15.473 1.991 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 942 3.349 -14.510 2.480 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 943 7.609 -10.864 0.426 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 943 8.535 -11.091 0.647 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 943 7.435 -10.055 0.951 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 944 -2.382 -14.354 -6.085 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 944 -2.515 -15.306 -6.198 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 944 -1.538 -14.288 -5.581 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 945 0.505 -12.733 2.620 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 945 1.471 -12.748 2.761 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 945 0.350 -11.895 2.123 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 946 -3.714 -12.483 1.644 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 946 -3.219 -11.904 1.019 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 946 -3.803 -13.319 1.170 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 947 -2.106 -13.527 -1.618 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 947 -2.537 -13.364 -2.483 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 947 -1.151 -13.548 -1.828 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 948 2.635 -13.993 -0.679 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 948 2.071 -14.503 -0.061 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 948 3.318 -13.604 -0.110 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 949 0.761 -15.018 1.131 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 949 0.541 -14.241 1.695 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 949 -0.093 -15.321 0.805 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 950 -2.222 -11.222 -0.228 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 950 -2.086 -12.084 -0.683 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 950 -2.716 -10.680 -0.891 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 951 -0.033 -10.479 1.197 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 951 -0.801 -10.740 0.640 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 951 0.286 -9.640 0.786 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 952 5.948 -12.596 2.979 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 952 6.468 -13.228 2.439 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 952 6.614 -12.071 3.432 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 953 -5.825 -10.735 2.085 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 953 -5.054 -11.331 1.962 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 953 -6.172 -10.975 2.949 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 954 -12.736 -1.909 -43.651 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 954 -12.929 -1.696 -42.717 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 954 -12.586 -2.875 -43.647 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 955 -11.093 -8.131 -44.684 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 955 -11.712 -7.781 -44.008 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 955 -10.447 -7.401 -44.815 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 956 -9.422 -5.954 -44.822 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 956 -8.687 -5.766 -44.203 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 956 -9.693 -5.087 -45.137 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 957 -12.790 -4.649 -43.239 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 957 -12.514 -4.456 -42.318 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 957 -12.770 -5.626 -43.291 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 958 -6.148 -2.807 -37.225 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 958 -6.527 -1.901 -37.158 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 958 -5.201 -2.661 -37.292 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 959 -11.923 -4.156 -40.693 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 959 -12.109 -4.975 -40.177 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 959 -10.944 -4.159 -40.800 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 960 -9.555 0.612 -38.010 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 960 -9.926 0.351 -37.138 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 960 -10.116 0.127 -38.658 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 961 -9.234 -4.481 -41.033 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 961 -8.780 -4.599 -41.890 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 961 -8.516 -4.263 -40.410 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 962 -11.040 -10.778 -47.970 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 962 -11.372 -10.661 -47.052 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 962 -10.468 -10.021 -48.113 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 963 -7.070 -0.214 -37.128 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 963 -7.896 -0.027 -37.619 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 963 -6.779 0.649 -36.821 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 964 -7.395 -4.619 -38.884 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 964 -8.044 -5.101 -38.345 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 964 -6.971 -3.992 -38.251 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 965 -13.026 -8.782 -40.498 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 965 -12.738 -7.983 -39.989 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 965 -12.615 -9.534 -40.017 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 966 -11.362 -11.376 -43.094 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 966 -11.598 -11.283 -44.045 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 966 -10.754 -10.641 -42.931 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 967 -10.906 5.149 -37.380 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 967 -10.414 6.000 -37.430 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 967 -10.313 4.502 -37.828 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 968 -14.641 -0.347 -35.122 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 968 -14.201 0.444 -35.507 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 968 -15.533 -0.348 -35.532 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 969 -10.774 -0.581 -35.908 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 969 -10.437 -1.480 -35.987 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 969 -11.275 -0.588 -35.062 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 970 -6.645 -6.388 -40.827 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 970 -6.719 -7.254 -40.414 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 970 -6.795 -5.756 -40.089 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 971 -7.397 -5.166 -43.114 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 971 -7.106 -5.680 -42.321 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 971 -6.574 -4.890 -43.530 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 972 -10.187 -7.307 -36.390 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 972 -11.117 -7.016 -36.559 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 972 -9.728 -7.119 -37.234 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 973 -10.142 -9.976 -35.419 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 973 -10.180 -9.076 -35.800 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 973 -9.240 -10.032 -35.028 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 974 -14.252 -1.805 -45.892 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 974 -13.717 -1.442 -46.599 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 974 -13.709 -1.667 -45.083 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 975 -12.207 -10.422 -45.521 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 975 -13.169 -10.330 -45.505 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 975 -11.870 -9.528 -45.263 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 976 -13.006 -7.411 -42.865 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 976 -13.982 -7.269 -42.879 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 976 -12.845 -7.835 -41.996 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 977 -12.802 1.380 -36.172 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 977 -12.809 2.098 -36.847 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 977 -12.076 0.794 -36.451 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 978 -9.613 -6.459 -38.966 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 978 -10.598 -6.563 -38.979 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 978 -9.417 -6.003 -39.802 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 979 -7.759 -10.104 -34.101 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 979 -7.947 -9.603 -33.283 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 979 -6.877 -10.459 -33.963 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 980 -5.758 -3.669 -27.077 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 980 -5.107 -3.342 -26.426 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 980 -6.157 -4.452 -26.644 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 981 -10.816 -1.436 -22.822 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 981 -11.368 -1.652 -22.025 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 981 -10.432 -0.559 -22.615 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 982 -7.511 0.789 -25.136 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 982 -8.159 1.515 -25.013 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 982 -6.818 0.977 -24.481 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 983 -10.671 -4.223 -29.472 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 983 -9.913 -3.610 -29.447 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 983 -11.103 -4.033 -30.341 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 984 -12.883 -1.233 -31.036 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 984 -12.459 -0.415 -30.686 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 984 -13.687 -1.328 -30.493 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 985 -3.313 -1.328 -20.461 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 985 -2.596 -1.889 -20.102 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 985 -3.731 -1.886 -21.153 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 986 -3.927 -3.546 -24.944 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 986 -3.016 -3.869 -25.108 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 986 -4.388 -4.323 -24.567 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 987 -7.601 -8.118 -29.035 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 987 -8.049 -7.248 -28.957 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 987 -7.744 -8.376 -29.967 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 988 -11.684 -1.343 -25.433 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 988 -11.475 -1.433 -24.475 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 988 -10.822 -1.446 -25.872 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 989 -8.880 -1.389 -26.231 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 989 -8.843 -2.103 -25.552 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 989 -8.304 -0.677 -25.861 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 990 4.812 -4.121 -21.039 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 990 5.309 -4.279 -20.210 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 990 5.472 -3.782 -21.649 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 991 -2.270 1.142 -20.674 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 991 -2.995 1.789 -20.694 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 991 -2.729 0.267 -20.606 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 992 -9.292 -3.234 -24.213 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 992 -9.793 -2.665 -23.585 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 992 -8.667 -3.738 -23.634 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 993 -5.942 2.211 -22.882 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 993 -5.328 2.379 -22.132 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 993 -6.077 3.081 -23.274 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 994 -10.164 0.399 -27.962 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 994 -9.390 0.975 -28.169 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 994 -9.775 -0.347 -27.467 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 995 2.137 -4.450 -20.685 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 995 3.096 -4.334 -20.894 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 995 1.714 -3.638 -21.049 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 996 -3.815 -9.243 -24.853 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 996 -4.726 -9.417 -24.543 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 996 -3.931 -8.988 -25.786 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 997 -0.639 -5.081 -20.724 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 997 -0.938 -4.289 -20.239 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 997 0.325 -5.085 -20.594 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 998 -7.783 1.574 -20.930 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 998 -8.619 1.309 -21.371 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 998 -7.135 1.627 -21.664 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 999 -4.610 3.011 -20.603 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 999 -3.806 3.574 -20.523 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 999 -5.221 3.376 -19.930 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 1000 -2.337 4.347 -20.026 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 1000 -2.331 4.816 -19.183 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 1000 -1.494 3.876 -20.044 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 1001 -0.283 0.104 -22.362 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 1001 -0.403 0.655 -23.140 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 1001 -0.921 0.466 -21.712 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 1002 -12.069 5.580 -28.991 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 1002 -12.239 5.035 -28.185 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 1002 -11.553 4.995 -29.565 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 1003 3.211 -4.498 -18.052 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 1003 2.531 -4.259 -17.391 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 1003 2.723 -4.516 -18.899 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 1004 -9.961 1.194 -22.538 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 1004 -10.708 1.722 -22.233 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 1004 -9.693 1.624 -23.380 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 1005 -5.204 -5.679 -23.768 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 1005 -5.444 -6.067 -24.632 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 1005 -4.545 -6.305 -23.398 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 1006 -7.552 -4.636 -22.655 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 1006 -6.780 -5.113 -23.013 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 1006 -7.227 -4.248 -21.812 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 1007 -12.333 -4.953 -27.363 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 1007 -12.447 -5.916 -27.502 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 1007 -11.793 -4.662 -28.129 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 1008 -12.295 -6.458 -33.467 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 1008 -11.325 -6.576 -33.581 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 1008 -12.535 -5.782 -34.135 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 1009 -4.445 -2.972 -22.285 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 1009 -4.166 -2.864 -23.217 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 1009 -4.901 -3.826 -22.275 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 1010 -5.597 -8.603 -26.976 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 1010 -6.218 -8.531 -27.730 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 1010 -6.157 -8.881 -26.230 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 1011 -9.014 -5.948 -28.104 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 1011 -9.511 -5.373 -28.720 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 1011 -9.419 -5.764 -27.229 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 1012 -1.360 -7.700 -20.797 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 1012 -1.961 -7.657 -21.574 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 1012 -1.044 -6.769 -20.692 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 1013 -3.914 -6.448 -26.527 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 1013 -4.228 -5.730 -27.092 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 1013 -4.507 -7.198 -26.745 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 1014 -6.894 -5.974 -26.202 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 1014 -7.394 -5.953 -27.040 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 1014 -7.456 -6.506 -25.605 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 1015 -0.945 -2.507 -19.622 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 1015 -0.898 -1.708 -19.053 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 1015 -0.234 -2.370 -20.282 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 1016 -7.992 -2.845 -28.540 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 1016 -7.124 -3.152 -28.193 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 1016 -8.346 -2.287 -27.822 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 1017 -8.043 -4.663 -33.516 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 1017 -8.071 -4.095 -32.714 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 1017 -7.328 -4.294 -34.043 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 1018 -7.964 4.274 -20.379 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 1018 -7.223 4.354 -19.747 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 1018 -8.000 3.318 -20.584 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 1019 -8.130 -2.970 -31.309 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 1019 -8.365 -2.042 -31.406 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 1019 -7.897 -3.058 -30.360 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 1020 5.878 -4.754 -18.534 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 1020 6.022 -5.687 -18.825 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 1020 4.922 -4.720 -18.304 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 1021 -12.121 1.074 -29.794 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 1021 -11.387 0.944 -29.154 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 1021 -12.022 2.000 -30.087 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 1022 -9.595 -6.900 -33.690 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 1022 -9.638 -7.038 -34.662 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 1022 -9.017 -6.106 -33.586 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 1023 -8.744 -7.529 -24.930 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 1023 -9.100 -8.094 -25.653 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 1023 -9.320 -6.732 -24.947 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 1024 -14.379 -0.330 -28.796 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 1024 -13.598 0.244 -28.929 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 1024 -14.078 -1.000 -28.148 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 1025 -10.661 5.925 -16.293 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 1025 -10.536 6.347 -15.408 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 1025 -11.626 5.837 -16.379 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 1026 -5.371 8.288 -16.116 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 1026 -5.581 8.238 -15.156 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 1026 -4.424 8.144 -16.157 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 1027 -6.376 1.223 -18.554 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 1027 -5.503 1.194 -18.960 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 1027 -6.991 1.288 -19.316 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 1028 0.710 -2.382 -21.840 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 1028 0.303 -2.853 -22.578 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 1028 0.511 -1.432 -22.022 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 1029 -1.019 0.018 -18.401 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 1029 -1.337 0.539 -19.162 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 1029 -1.245 0.570 -17.623 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 1030 1.338 -3.723 -16.207 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 1030 1.236 -2.751 -16.040 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 1030 0.594 -3.939 -16.789 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 1031 -11.989 2.067 -33.587 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 1031 -11.893 1.106 -33.467 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 1031 -12.296 2.159 -34.508 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 1032 -14.018 5.468 -30.894 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 1032 -13.582 4.715 -31.331 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 1032 -13.469 5.626 -30.098 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 1033 -12.516 3.932 -26.853 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 1033 -13.388 4.279 -26.573 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 1033 -12.465 3.044 -26.442 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 1034 7.203 -4.528 -14.285 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 1034 6.252 -4.430 -14.485 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 1034 7.645 -4.320 -15.142 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 1035 8.013 -4.232 -16.844 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 1035 7.244 -4.342 -17.446 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 1035 8.719 -4.722 -17.272 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 1036 2.891 -7.979 -24.369 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 1036 3.202 -7.139 -24.720 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 1036 3.679 -8.349 -23.897 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 1037 6.144 -10.759 -16.263 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 1037 6.572 -11.581 -16.003 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 1037 6.799 -10.060 -16.019 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 1038 -10.208 -5.344 -25.681 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 1038 -11.077 -5.104 -26.065 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 1038 -9.964 -4.561 -25.130 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 1039 6.081 -7.260 -19.526 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 1039 6.814 -7.908 -19.524 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 1039 5.421 -7.654 -20.106 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 1040 -8.155 4.490 -16.345 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 1040 -9.070 4.745 -16.558 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 1040 -8.043 4.777 -15.410 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1041 -9.263 2.844 -24.638 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1041 -9.137 3.637 -24.056 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1041 -9.868 3.153 -25.328 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1042 7.532 -9.454 -22.368 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1042 8.346 -9.796 -22.747 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1042 7.729 -9.369 -21.411 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1043 -9.053 4.880 -22.867 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1043 -8.706 4.858 -21.951 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1043 -9.499 5.752 -22.934 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1044 -11.968 1.298 -26.023 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1044 -11.298 1.156 -26.719 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1044 -12.151 0.400 -25.687 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1045 -7.986 1.958 -28.114 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1045 -8.308 2.891 -28.098 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1045 -7.362 1.911 -27.381 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1046 -3.454 -7.617 -22.641 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1046 -4.100 -8.098 -22.082 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1046 -3.391 -8.164 -23.453 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1047 1.016 -9.535 -25.674 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1047 1.427 -9.732 -26.522 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1047 1.636 -8.908 -25.246 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1048 -12.053 -7.784 -27.717 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1048 -11.995 -8.330 -28.523 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1048 -11.166 -7.864 -27.315 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1049 -11.454 -12.048 -34.149 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1049 -10.975 -11.356 -34.667 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1049 -11.586 -12.769 -34.780 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1050 -1.878 -5.368 -25.078 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1050 -2.544 -5.848 -25.619 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1050 -1.459 -6.057 -24.554 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1051 -11.899 3.688 -31.409 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1051 -11.941 3.075 -32.183 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1051 -11.385 4.452 -31.740 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1052 -8.626 -8.744 -31.794 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1052 -9.334 -9.413 -31.701 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1052 -9.018 -8.057 -32.377 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1053 -8.697 4.950 -30.798 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1053 -9.348 5.404 -31.376 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1053 -8.183 4.408 -31.402 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1054 1.343 -6.661 -10.681 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1054 1.918 -7.373 -11.026 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1054 0.889 -6.326 -11.467 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1055 2.086 -2.692 -2.825 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1055 1.766 -2.317 -1.976 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1055 3.061 -2.587 -2.783 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1056 -10.261 3.539 -8.114 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1056 -10.922 2.857 -7.859 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1056 -9.454 3.033 -8.290 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1057 -3.172 0.758 -7.159 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1057 -2.589 0.071 -6.761 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1057 -2.588 1.508 -7.299 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1058 0.109 -8.596 -7.514 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1058 -0.127 -8.267 -6.614 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1058 1.039 -8.321 -7.623 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1059 4.895 -6.387 -9.133 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1059 5.003 -7.058 -9.833 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1059 5.140 -6.862 -8.311 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1060 2.706 -7.964 -6.686 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1060 3.677 -8.077 -6.805 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1060 2.526 -7.071 -7.055 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1061 -5.740 1.147 -6.212 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1061 -6.304 1.558 -6.899 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1061 -4.882 0.997 -6.666 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1062 -2.833 1.146 -11.049 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1062 -3.474 1.468 -10.404 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1062 -2.734 0.212 -10.838 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1063 4.865 -2.478 -2.515 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1063 4.903 -3.455 -2.397 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1063 5.497 -2.303 -3.245 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1064 1.394 1.451 -15.128 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1064 2.255 1.707 -15.536 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1064 1.439 1.818 -14.239 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1065 -7.015 2.538 -8.368 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1065 -7.031 2.306 -9.324 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1065 -6.684 3.441 -8.351 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1066 -5.404 0.989 -3.538 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1066 -6.123 1.525 -3.184 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1066 -5.516 1.058 -4.520 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1067 -11.234 -3.793 -6.884 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1067 -11.076 -4.106 -7.790 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1067 -11.960 -3.140 -6.976 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1068 7.941 -9.045 -15.211 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1068 8.475 -8.228 -15.124 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1068 7.430 -9.080 -14.376 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1069 -11.315 -0.252 -5.749 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1069 -11.958 -0.932 -6.076 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1069 -10.478 -0.498 -6.166 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1070 -12.241 1.803 -7.377 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1070 -11.911 1.199 -6.680 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1070 -12.580 1.200 -8.072 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1071 -2.362 1.164 -1.426 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1071 -2.380 0.740 -2.310 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1071 -2.948 1.926 -1.518 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1072 -5.840 7.081 -10.871 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1072 -5.741 7.359 -9.933 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1072 -6.814 7.058 -11.009 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1073 -10.898 2.341 -1.889 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1073 -11.875 2.303 -1.884 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1073 -10.630 1.610 -1.302 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1074 3.943 2.191 -15.834 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1074 4.506 1.384 -15.860 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1074 4.555 2.910 -16.011 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1075 2.455 -5.719 -8.220 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1075 1.906 -5.800 -9.027 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1075 3.365 -5.921 -8.536 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1076 2.714 -4.247 -5.836 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1076 2.564 -4.622 -6.731 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1076 1.826 -4.129 -5.476 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1077 -10.496 -0.022 -0.490 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1077 -10.933 -0.628 0.141 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1077 -10.412 -0.554 -1.311 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1078 -2.858 1.710 -13.762 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1078 -3.793 1.984 -13.750 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1078 -2.664 1.497 -12.827 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1079 6.457 -2.404 -4.789 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1079 7.068 -1.833 -5.291 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1079 5.568 -2.184 -5.156 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1080 -3.127 -0.496 -3.472 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1080 -3.290 -1.030 -2.671 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1080 -3.955 0.025 -3.588 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1081 -1.319 1.510 -16.073 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1081 -1.841 1.493 -15.237 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1081 -0.390 1.559 -15.773 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1082 -8.512 -3.347 -1.630 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1082 -8.081 -2.771 -0.959 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1082 -9.196 -2.775 -2.030 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1083 7.883 -5.036 -11.655 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1083 7.657 -4.845 -12.590 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1083 7.158 -4.622 -11.146 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1084 7.615 -2.538 0.113 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1084 8.142 -2.158 -0.624 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1084 8.202 -3.225 0.498 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1085 1.191 -0.893 -4.687 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1085 1.470 -1.631 -4.099 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1085 1.418 -0.099 -4.193 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1086 -9.125 2.812 -12.830 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1086 -9.603 2.496 -13.600 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1086 -8.859 3.726 -13.071 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1087 -7.190 2.019 -11.052 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1087 -7.994 2.271 -11.560 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1087 -6.471 2.072 -11.712 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1088 -5.930 8.128 -13.443 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1088 -5.650 7.912 -12.529 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1088 -6.706 8.714 -13.319 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1089 -1.496 -0.840 -5.698 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1089 -1.973 -0.767 -4.845 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1089 -0.554 -0.887 -5.443 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1090 0.742 -1.088 -16.032 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1090 -0.007 -0.799 -16.575 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1090 1.055 -0.267 -15.601 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1091 -11.231 4.153 -4.067 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1091 -10.929 3.543 -3.363 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1091 -12.124 4.424 -3.779 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1092 -6.391 2.357 -15.999 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1092 -7.097 3.022 -16.126 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1092 -6.434 1.806 -16.815 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1093 -5.501 2.617 -13.341 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1093 -5.488 3.596 -13.251 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1093 -5.883 2.462 -14.231 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1094 -5.645 5.336 -12.980 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1094 -5.500 6.109 -13.550 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1094 -5.576 5.696 -12.070 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1095 3.925 -1.800 -5.576 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1095 3.595 -2.712 -5.714 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1095 3.121 -1.260 -5.565 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1096 -10.750 7.633 -9.937 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1096 -11.317 6.934 -9.541 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1096 -11.262 7.937 -10.736 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1097 -3.405 -1.346 -0.839 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1097 -3.091 -0.421 -0.799 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1097 -2.609 -1.881 -0.579 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1098 -3.945 3.327 -16.875 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1098 -4.694 2.895 -16.418 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1098 -3.161 2.878 -16.522 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1099 -0.294 0.715 0.277 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1099 -0.068 1.600 0.584 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1099 -1.042 0.859 -0.346 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1100 -10.792 -1.928 1.500 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1100 -10.044 -1.374 1.791 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1100 -10.407 -2.829 1.427 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1101 -1.225 -2.637 0.011 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1101 -0.284 -2.399 -0.103 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1101 -1.215 -3.321 0.713 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1102 5.569 -0.004 -15.891 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1102 6.329 -0.319 -15.391 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1102 5.248 -0.787 -16.353 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1103 -1.289 -4.482 2.078 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1103 -0.379 -4.839 2.047 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1103 -1.856 -5.287 2.105 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1104 1.302 -1.444 -0.459 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1104 0.781 -0.662 -0.176 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1104 2.230 -1.200 -0.260 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1105 -7.224 -6.964 -3.902 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1105 -7.893 -7.660 -4.064 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1105 -6.839 -7.206 -3.035 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1106 -15.698 7.325 -11.226 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1106 -15.021 7.976 -11.526 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1106 -15.219 6.757 -10.586 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1107 -11.954 5.740 -8.430 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1107 -11.494 4.896 -8.620 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1107 -11.688 5.949 -7.513 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1108 5.738 -3.969 -10.253 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1108 5.115 -3.784 -10.995 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1108 5.327 -4.724 -9.779 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1109 7.996 -0.868 -6.522 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1109 7.676 0.025 -6.696 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1109 7.831 -1.350 -7.362 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1110 4.675 -3.962 -15.347 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1110 4.569 -3.942 -16.311 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1110 3.908 -4.477 -15.035 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1111 4.196 -3.745 -12.548 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1111 4.532 -3.352 -13.368 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1111 3.505 -4.360 -12.847 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1112 4.059 -0.917 -0.445 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1112 4.353 -1.482 -1.200 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1112 4.766 -0.269 -0.348 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1113 5.904 -4.826 0.276 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1113 6.135 -3.901 0.468 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1113 6.131 -5.307 1.103 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1114 2.459 -5.261 -14.267 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1114 2.010 -4.671 -14.919 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1114 1.722 -5.772 -13.865 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1115 2.986 -8.603 -11.907 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1115 3.769 -8.677 -11.328 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1115 2.719 -9.533 -12.063 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1116 5.125 -5.546 -5.255 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1116 4.868 -6.208 -4.585 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1116 4.296 -5.060 -5.442 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1117 4.710 -5.161 -2.155 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1117 5.057 -5.185 -1.235 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1117 3.858 -5.640 -2.104 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1118 -8.382 -5.896 -0.654 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1118 -7.565 -6.305 -1.019 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1118 -8.457 -5.037 -1.137 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1119 2.704 -11.390 -11.919 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1119 3.645 -11.600 -11.714 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1119 2.206 -11.837 -11.213 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1120 4.356 -7.394 -13.891 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1120 3.884 -6.598 -14.194 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1120 3.769 -7.769 -13.197 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1121 -7.589 -11.324 -2.367 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1121 -7.815 -10.528 -2.891 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1121 -8.443 -11.806 -2.293 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1122 -10.275 5.598 -6.208 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1122 -10.536 5.197 -5.345 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1122 -10.082 4.828 -6.777 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1123 -8.910 7.467 -7.777 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1123 -9.337 6.879 -7.119 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1123 -9.511 7.445 -8.543 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1124 3.168 -9.717 -9.236 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1124 3.037 -10.106 -8.352 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1124 2.291 -9.784 -9.655 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1125 6.490 -8.909 -12.915 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1125 6.148 -8.975 -11.998 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1125 5.868 -8.293 -13.355 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1126 0.457 -10.256 -9.647 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1126 -0.444 -10.601 -9.808 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1126 0.327 -9.555 -8.973 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1127 5.065 -12.111 -10.673 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1127 6.019 -12.008 -10.616 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1127 4.775 -12.186 -9.740 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1128 -10.315 7.479 -14.068 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1128 -10.878 7.788 -13.324 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1128 -9.974 8.307 -14.468 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1129 -8.928 -9.135 -3.451 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1129 -9.749 -9.474 -3.857 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1129 -9.196 -8.884 -2.545 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1130 -8.279 5.254 -13.734 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1130 -8.772 6.044 -13.437 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1130 -7.409 5.333 -13.289 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1131 -2.719 -2.407 3.209 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1131 -2.597 -2.518 4.159 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1131 -2.237 -3.170 2.813 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1132 1.746 -2.284 3.094 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1132 1.422 -3.122 3.459 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1132 0.932 -1.746 2.962 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1133 7.614 -8.605 1.940 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1133 6.916 -7.929 2.029 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1133 8.225 -8.412 2.685 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1134 -0.487 -0.836 2.607 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1134 -0.557 -0.300 1.795 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1134 -1.380 -1.208 2.727 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1135 -2.548 -6.940 2.222 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1135 -2.170 -7.766 2.588 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1135 -3.521 -7.045 2.354 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1136 -5.121 -4.438 0.668 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1136 -4.983 -3.593 1.136 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1136 -5.876 -4.850 1.136 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1137 2.395 -4.918 4.148 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1137 2.680 -5.636 4.761 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1137 3.103 -4.251 4.223 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1138 3.437 -6.816 5.774 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1138 2.951 -7.635 6.029 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1138 4.320 -6.949 6.127 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1139 6.572 -4.657 5.026 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1139 5.791 -4.060 5.011 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1139 7.296 -4.114 4.640 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1140 -10.012 -4.551 1.237 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1140 -10.970 -4.737 1.259 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1140 -9.688 -5.051 0.465 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1141 0.930 -6.130 2.237 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1141 0.435 -6.648 2.886 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1141 1.611 -5.662 2.776 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1142 -5.185 -7.482 2.337 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1142 -5.944 -6.870 2.258 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1142 -5.565 -8.357 2.179 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1143 -6.856 -9.714 -0.238 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1143 -6.480 -10.152 0.561 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1143 -6.917 -10.435 -0.902 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1144 -7.280 -5.657 1.878 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1144 -7.941 -5.134 2.357 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1144 -7.714 -5.858 1.023 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1145 -8.698 -0.032 1.570 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1145 -8.638 0.742 2.140 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1145 -9.269 0.259 0.826 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1146 -7.137 -1.729 0.081 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1146 -6.343 -1.837 0.643 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1146 -7.712 -1.127 0.600 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1147 -4.789 -1.861 1.489 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1147 -4.241 -1.576 0.731 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1147 -4.147 -1.945 2.230 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1148 4.190 -1.904 2.107 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1148 3.253 -1.976 2.413 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1148 4.113 -1.666 1.161 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1149 6.850 -1.544 2.522 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1149 5.874 -1.569 2.487 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1149 7.126 -1.772 1.612 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1150 4.404 -2.999 4.630 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1150 3.876 -2.350 5.112 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1150 4.459 -2.634 3.721 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1151 2.098 -9.096 6.446 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1151 2.021 -9.955 6.866 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1151 1.198 -8.922 6.087 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1152 -0.440 -8.643 5.528 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1152 -0.814 -8.879 4.650 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1152 -1.210 -8.548 6.093 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1153 -6.169 -7.340 -1.369 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1153 -6.334 -8.221 -0.957 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1153 -5.257 -7.107 -1.073 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1154 -3.740 -6.506 -0.390 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1154 -3.218 -6.912 0.322 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1154 -4.109 -5.692 0.020 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1155 -15.221 13.260 -29.864 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1155 -14.540 12.903 -30.467 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1155 -14.761 13.334 -29.003 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1156 -12.904 15.942 -28.755 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1156 -13.016 15.066 -28.333 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1156 -13.222 15.810 -29.666 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1157 -13.596 13.529 -27.611 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1157 -13.411 13.582 -26.649 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1157 -13.268 12.637 -27.865 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1158 -10.483 7.311 -23.018 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1158 -11.301 7.438 -22.505 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1158 -10.238 8.207 -23.291 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1159 -12.784 13.176 -24.986 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1159 -12.793 12.211 -25.032 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1159 -12.597 13.367 -24.043 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1160 -13.785 16.683 -20.878 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1160 -13.705 17.196 -21.716 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1160 -14.512 16.072 -21.046 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1161 -11.361 10.226 -22.916 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1161 -11.878 9.621 -22.349 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1161 -11.097 10.945 -22.315 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1162 -13.985 8.114 -31.566 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1162 -14.151 7.149 -31.504 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1162 -14.776 8.464 -32.024 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1163 -11.605 11.109 -30.816 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1163 -11.943 11.042 -29.911 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1163 -12.040 11.912 -31.175 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1164 -11.524 16.348 -19.051 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1164 -12.181 16.518 -19.754 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1164 -10.851 15.783 -19.484 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1165 -10.973 12.038 -20.718 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1165 -10.835 11.227 -20.187 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1165 -10.440 12.718 -20.256 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1166 -8.998 4.469 -28.117 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1166 -8.840 4.704 -29.060 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1166 -9.565 5.175 -27.789 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1167 -9.701 14.226 -19.365 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1167 -8.987 13.554 -19.365 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1167 -9.886 14.374 -18.416 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1168 -8.395 11.856 -18.994 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1168 -9.006 11.103 -19.151 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1168 -7.746 11.503 -18.371 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1169 -8.235 9.584 -12.807 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1169 -8.752 10.188 -12.237 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1169 -8.573 9.764 -13.711 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1170 -10.165 9.791 -19.137 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1170 -11.056 9.822 -18.728 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1170 -9.799 8.938 -18.847 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1171 -14.737 19.250 -25.585 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1171 -14.862 20.214 -25.414 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1171 -14.454 19.211 -26.519 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1172 -12.691 8.278 -21.494 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1172 -13.618 8.063 -21.263 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1172 -12.174 7.952 -20.719 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1173 -13.120 10.881 -28.039 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1173 -12.968 9.956 -28.339 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1173 -13.693 10.787 -27.254 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1174 -12.240 13.861 -22.336 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1174 -11.688 13.208 -21.847 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1174 -12.910 14.126 -21.698 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1175 -11.393 8.736 -32.221 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1175 -12.335 8.522 -32.035 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1175 -11.248 9.589 -31.748 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1176 -12.916 8.304 -28.963 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1176 -13.261 8.366 -29.876 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1176 -12.494 7.423 -28.926 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1177 -10.639 6.016 -32.382 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1177 -10.981 5.871 -33.293 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1177 -10.773 6.976 -32.227 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1178 -11.638 6.972 -19.359 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1178 -10.703 6.978 -19.085 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1178 -12.093 6.495 -18.648 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1179 -5.993 4.283 -18.431 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1179 -6.668 4.395 -17.736 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1179 -5.174 4.064 -17.932 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1180 -11.584 12.679 -13.154 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1180 -11.052 12.523 -13.960 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1180 -11.207 12.059 -12.496 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1181 -10.386 10.840 -11.486 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1181 -10.594 10.928 -10.538 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1181 -10.902 10.048 -11.769 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1182 -9.929 12.525 -15.354 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1182 -9.384 13.137 -14.808 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1182 -10.228 13.081 -16.101 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1183 -6.261 7.863 -8.264 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1183 -7.224 7.720 -8.116 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1183 -5.980 8.373 -7.502 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1184 -10.712 14.760 -16.856 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1184 -11.206 15.353 -17.455 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1184 -10.739 15.219 -15.991 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1185 -7.557 9.431 -17.278 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1185 -6.697 9.112 -16.920 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1185 -7.916 8.661 -17.754 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1186 -9.085 14.605 -13.775 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1186 -9.689 15.330 -14.047 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1186 -9.187 14.559 -12.821 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1187 -14.053 10.739 -9.604 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1187 -13.141 10.649 -9.263 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1187 -14.025 10.278 -10.480 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1188 -16.630 9.520 -9.735 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1188 -16.538 8.718 -10.290 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1188 -15.711 9.778 -9.536 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1189 -8.467 7.195 -11.476 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1189 -9.264 7.255 -10.915 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1189 -8.445 8.052 -11.953 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1190 -9.379 9.852 -15.279 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1190 -8.756 9.753 -16.035 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1190 -9.677 10.790 -15.338 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1191 -9.124 7.249 -18.186 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1191 -9.531 6.834 -17.393 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1191 -8.530 6.564 -18.535 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1192 8.965 -15.091 -8.203 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1192 8.638 -15.336 -9.074 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1192 8.169 -14.735 -7.739 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1193 13.372 -12.877 -2.788 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1193 12.683 -13.416 -3.235 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1193 13.589 -12.186 -3.437 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1194 6.928 -14.847 -4.235 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1194 7.779 -14.898 -3.757 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1194 6.265 -14.669 -3.525 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1195 6.677 -14.208 -6.971 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1195 6.781 -14.267 -5.996 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1195 6.086 -13.451 -7.103 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1196 11.313 -10.236 -11.987 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1196 11.847 -10.500 -12.740 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1196 11.935 -10.278 -11.226 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1197 9.400 -14.943 -2.449 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1197 9.557 -15.714 -1.866 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1197 9.360 -14.187 -1.829 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1198 14.831 -8.619 -8.705 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1198 14.688 -7.685 -8.943 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1198 14.563 -8.668 -7.760 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1199 11.465 -14.331 -4.163 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1199 10.731 -14.614 -3.571 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1199 11.373 -14.907 -4.951 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1200 13.606 -13.556 -0.186 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1200 13.820 -14.481 -0.344 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1200 13.482 -13.180 -1.095 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1201 8.881 -16.514 2.211 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1201 8.240 -17.132 2.642 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1201 9.371 -16.134 2.948 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1202 8.804 -9.411 -11.414 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1202 9.665 -9.647 -11.834 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1202 8.181 -9.338 -12.164 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1203 5.418 -8.861 -10.383 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1203 6.200 -9.113 -9.847 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1203 4.659 -9.279 -9.908 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1204 10.063 -16.623 -0.300 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1204 9.580 -16.504 0.546 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1204 10.437 -17.505 -0.233 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1205 11.053 -15.683 -6.546 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1205 10.232 -15.573 -7.082 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1205 11.306 -16.602 -6.686 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1206 13.609 -11.343 -5.241 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1206 13.905 -12.096 -5.765 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1206 12.626 -11.407 -5.262 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1207 10.177 -9.425 -5.058 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1207 10.433 -10.369 -5.087 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1207 9.552 -9.327 -5.787 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1208 11.260 -13.205 -7.851 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1208 11.375 -14.098 -7.477 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1208 10.419 -13.258 -8.336 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1209 13.118 -10.551 -9.903 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1209 13.318 -11.302 -9.334 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1209 13.719 -9.844 -9.587 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1210 7.545 -14.207 1.338 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1210 7.802 -15.101 1.638 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1210 8.284 -13.931 0.753 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1211 9.769 -13.408 -0.145 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1211 10.607 -13.841 0.055 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1211 9.872 -12.504 0.224 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1212 12.457 -12.454 2.085 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1212 13.209 -11.906 2.348 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1212 12.794 -12.971 1.328 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1213 18.045 -1.386 -6.511 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1213 18.579 -2.197 -6.592 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1213 18.510 -0.736 -7.079 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1214 13.831 -0.920 -3.601 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1214 13.239 -1.078 -4.359 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1214 14.697 -0.684 -4.017 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1215 7.559 -2.335 -8.876 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1215 6.774 -2.851 -9.171 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1215 8.051 -2.172 -9.691 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1216 8.880 -3.932 -7.052 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1216 8.364 -3.330 -7.624 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1216 9.512 -4.361 -7.667 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1217 15.255 -2.623 -1.910 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1217 15.538 -1.885 -1.325 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1217 14.658 -2.194 -2.558 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1218 19.171 -6.600 -4.361 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1218 19.483 -7.050 -5.170 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1218 18.330 -7.052 -4.150 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1219 12.285 -7.096 -7.548 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1219 13.059 -6.614 -7.905 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1219 12.678 -7.751 -6.931 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1220 17.127 -5.467 -9.856 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1220 17.842 -5.536 -9.188 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1220 16.311 -5.533 -9.337 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1221 13.268 -0.432 -0.870 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1221 14.208 -0.353 -0.612 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1221 13.293 -0.470 -1.848 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1222 13.917 -8.750 -6.112 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1222 13.797 -9.690 -5.854 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1222 14.048 -8.286 -5.256 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1223 23.962 -1.558 -3.384 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1223 24.432 -1.044 -2.720 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1223 24.631 -1.766 -4.043 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1224 14.382 -3.286 -10.759 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1224 15.166 -3.302 -11.354 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1224 14.274 -4.205 -10.493 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1225 16.280 -0.479 -4.658 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1225 16.815 -0.854 -5.399 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1225 16.937 -0.120 -4.055 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1226 11.544 -1.819 0.692 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1226 10.834 -2.085 0.082 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1226 12.107 -1.211 0.150 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1227 9.841 -1.762 -4.575 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1227 9.215 -1.490 -5.275 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1227 10.718 -1.713 -5.007 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1228 9.406 -1.567 -1.801 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1228 9.500 -1.834 -2.742 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1228 9.720 -0.658 -1.785 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1229 9.541 -8.070 -7.720 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1229 9.393 -7.617 -8.579 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1229 10.491 -7.945 -7.547 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1230 17.695 -3.719 -2.475 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1230 16.837 -3.245 -2.385 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1230 17.448 -4.652 -2.477 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1231 21.578 -2.460 -2.308 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1231 21.191 -3.025 -3.005 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1231 22.404 -2.120 -2.708 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1232 12.727 -3.587 -7.886 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1232 12.883 -2.794 -8.449 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1232 11.942 -4.016 -8.288 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1233 18.081 -4.216 2.510 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1233 17.769 -5.120 2.580 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1233 18.997 -4.304 2.159 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1234 19.524 0.448 -7.979 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1234 19.710 0.465 -8.923 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1234 19.758 1.330 -7.673 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1235 7.396 -9.674 -8.489 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1235 8.060 -9.046 -8.133 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1235 7.932 -10.437 -8.788 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1236 20.002 -3.437 -6.568 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1236 20.841 -2.984 -6.690 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1236 19.965 -3.621 -5.600 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1237 14.543 -5.713 -8.410 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1237 14.105 -4.863 -8.197 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1237 15.168 -5.860 -7.653 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1238 10.666 -5.204 -8.715 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1238 11.212 -5.890 -8.270 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1238 10.182 -5.701 -9.412 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1239 19.560 -7.943 -6.700 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1239 20.237 -8.622 -6.772 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1239 18.850 -8.243 -7.322 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1240 14.216 -4.344 0.057 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1240 14.545 -3.899 -0.752 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1240 14.459 -3.730 0.780 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1241 18.806 -5.597 -7.694 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1241 19.223 -6.357 -7.233 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1241 19.336 -4.821 -7.405 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1242 9.156 -6.953 -10.199 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1242 8.653 -6.298 -10.743 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1242 8.980 -7.814 -10.641 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1243 16.098 1.748 1.219 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1243 15.976 1.119 1.959 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1243 16.284 2.586 1.648 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1244 13.230 -1.312 -9.291 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1244 13.630 -1.961 -9.919 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1244 13.638 -0.475 -9.528 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1245 7.917 -4.753 -1.931 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1245 8.833 -4.671 -1.575 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1245 7.347 -4.504 -1.180 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1246 17.761 -1.763 1.373 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1246 18.477 -1.884 0.711 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1246 17.771 -2.602 1.889 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1247 16.693 -3.932 -12.058 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1247 16.930 -4.484 -11.277 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1247 17.409 -4.080 -12.677 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1248 15.987 -0.517 -0.316 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1248 16.636 -0.990 0.250 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1248 16.048 0.418 -0.014 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1249 19.960 -4.023 -3.933 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1249 19.846 -4.999 -4.013 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1249 19.157 -3.732 -3.448 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1250 19.431 -2.560 -0.658 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1250 20.241 -2.383 -1.194 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1250 18.793 -2.929 -1.306 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1251 10.987 -11.970 -5.459 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1251 10.965 -12.298 -6.386 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1251 10.966 -12.786 -4.917 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1252 9.088 -4.486 1.363 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1252 8.873 -4.216 2.285 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1252 10.068 -4.526 1.349 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1253 13.606 -1.095 4.385 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1253 13.661 -0.942 5.336 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1253 14.420 -0.676 4.028 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1254 10.570 -5.047 -1.196 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1254 11.380 -5.159 -1.723 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1254 10.465 -5.899 -0.734 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1255 15.881 -0.429 2.925 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1255 15.351 -1.052 2.386 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1255 16.805 -0.695 2.747 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1256 9.366 -7.064 0.377 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1256 9.114 -6.187 0.737 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1256 8.706 -7.676 0.758 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1257 16.396 -6.264 -6.574 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1257 16.603 -6.774 -5.766 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1257 17.274 -5.997 -6.920 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1258 14.114 -8.107 -3.455 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1258 14.039 -7.493 -2.682 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1258 13.376 -8.718 -3.336 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1259 20.419 -4.322 1.161 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1259 21.351 -4.395 0.940 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1259 20.071 -3.663 0.521 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1260 14.948 -11.412 1.032 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1260 15.887 -11.618 1.039 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1260 14.547 -12.130 0.503 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1261 16.737 -7.925 -4.327 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1261 16.814 -8.874 -4.482 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1261 15.859 -7.826 -3.893 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1262 12.271 -1.476 -6.014 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1262 12.456 -2.296 -6.517 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1262 12.550 -0.768 -6.610 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1263 8.987 -6.660 -14.312 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1263 9.522 -6.373 -13.565 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1263 8.264 -6.005 -14.354 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1264 17.628 -8.828 -8.426 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1264 17.857 -8.745 -9.357 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1264 16.649 -8.800 -8.418 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1265 9.488 -11.264 -9.465 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1265 9.305 -10.658 -10.213 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1265 10.446 -11.222 -9.356 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1266 13.925 -8.791 0.974 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1266 14.279 -9.702 0.989 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1266 12.981 -8.896 1.209 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1267 13.907 -6.927 -1.017 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1267 14.042 -6.059 -0.592 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1267 13.968 -7.571 -0.274 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1268 7.935 -6.718 6.215 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1268 7.982 -6.574 7.163 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1268 7.371 -5.982 5.886 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1269 11.857 -4.473 1.564 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1269 12.617 -4.693 0.986 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1269 11.741 -3.511 1.443 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1270 8.582 -3.226 3.748 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1270 7.960 -2.530 3.432 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1270 9.428 -2.744 3.882 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1271 11.605 -6.483 3.449 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1271 11.661 -5.740 2.805 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1271 12.420 -6.415 3.957 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1272 6.721 -6.071 2.624 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1272 6.282 -5.665 3.396 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1272 7.602 -6.334 2.966 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1273 10.960 -1.781 3.516 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1273 11.062 -1.590 2.567 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1273 11.776 -1.434 3.919 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1274 14.071 -2.286 1.920 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1274 13.293 -2.035 1.389 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1274 13.778 -2.168 2.844 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1275 8.980 -7.170 3.760 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1275 9.923 -6.899 3.755 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1275 8.715 -7.105 4.707 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1276 10.195 -11.163 1.333 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1276 10.924 -11.674 1.751 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1276 10.486 -10.229 1.413 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1277 11.234 -8.631 1.640 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1277 10.688 -8.114 1.010 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1277 11.367 -8.022 2.392 1.00 0.00 WAT1 END